Trifluoroacetic Acid
Everything that changed this flow. Back to the flow
08a91e70-3ddc-11dd-9a5e-0050c2490048
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 5 | enrich_references, normalise_property_values, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus | typed the way the ontology types it |
| altLabel | 3 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 77366' (registry code) |
| prefLabel | 2 | bootstrap_labels, normalize_name_case | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| cas_match_labels | 1 | consensus_match | group_key=trifluoroaceticacid||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'76-05-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-4ba22d0e82095fff: {'76-05-1': 'exactMatch'} |
| concept_associations | 1 | carry_associations_onto_flows | associations resolved on the elementary layer |
| context | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['76-05-1']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_45892']; candidate_pubchem_cids=[6422, 84468, 22392675, 23138861]; selected_pubchem_cids=[6422]; formula_similarity_expected=[]; pubchem_selection_rule=curated_cas_then_formula_similarity_then_prefer_chebi_aligned_when_unambiguous_else_keep_all_cas_matches; single_cas_commonchem_link=yes |
| skos_definition | 1 | enrich_references | Merged ChEBI/PubChem definitions into skos:definition |
| synonyms | 1 | bootstrap_labels | Removed legacy synonyms field in favor of structured labels |
| types | 1 | link_flows_to_their_substance | the substance's answer, copied onto its flow |
| unit_iri | 1 | unit_normalization | Unit IRI set from normalization of 'kg' |
Where several steps wrote one field, the last one won — and the log below shows the sequence.
Changes
20| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 8,239 | bootstrap_labels | prefLabel | — | [{"@value":"trifluoroacetic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribut… | Bootstrapped prefLabel from legacy name field |
| 8,240 | bootstrap_labels | name | trifluoroacetic acid | — | Purged legacy name field to enforce prefLabel usage |
| 8,241 | bootstrap_labels | synonyms | ["1,1,1-Trifluoroacetic acid","1w70","2,2,2-trifluoroacetic acid","A5711","AB1003241","AC1L1MHX","AC1Q71RR","AKOS000118… | [] | Removed legacy synonyms field in favor of structured labels |
| 37,182 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 37,183 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 216,082 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,036 | normalize_name_case | prefLabel | [{"@value":"trifluoroacetic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribut… | [{"@value":"Trifluoroacetic Acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribut… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 235,050 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2HF3O2"],… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 235,051 | enrich_references | skos_definition | — | [{"@value":"A monocarboxylic acid that is the trifluoro derivative of acetic acid.","@language":"en","provenance":{"pro… | Merged ChEBI/PubChem definitions into skos:definition |
| 235,052 | enrich_references | references | [] | [{"@id":"gmelin:2729","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"conse… | Added references with provenance; cas_numbers=['76-05-1']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_45892']; candidate_pubchem_cids=[6422, 84468, 22392675, 23138861]; selected_pubchem_cids=[6422]; formula_similarity_expected=[]; pubchem_selection_rule=curated_cas_then_formula_similarity_then_prefer_chebi_aligned_when_unambiguous_else_keep_all_cas_matches; single_cas_commonchem_link=yes |
| 250,574 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2HF3O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2HF3O2"],… | rdkit_pre_consensus from 'C(=O)(C(F)(F)F)O'; added: monoisotopic_mass |
| 255,519 | chebi_altlabels | altLabel | [] | [{"@value":"CF3COOH","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consens… | Added 5 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 272,946 | consensus_match | altLabel | [{"@value":"CF3COOH","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consens… | [{"@value":"CF3COOH","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consens… | group_key=trifluoroaceticacid||dimension=Environmental > media=Ground > geography=Agricultural; cas=76-05-1; added Common Chemistry CAS names as altLabel: 2,2,2-Trifluoroacetic acid, 57: PN: WO2025098440 SEQID: 147 sequence, Acetic acid, 2,2,2-trifluoro-, Acetic acid, trifluoro-, MeSH ID: D014269, NSC 77366, Trifluoroethanoic acid; object_uuid=fo-4ba22d0e82095fff |
| 272,947 | consensus_match | cas_match_labels | — | {"76-05-1":"exactMatch"} | group_key=trifluoroaceticacid||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'76-05-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-4ba22d0e82095fff: {'76-05-1': 'exactMatch'} |
| 275,739 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2HF3O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2HF3O2"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Trifluoroacetic Acid' |
| 282,295 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2HF3O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2HF3O2"],… | rdkit_post_consensus from 'O=C(O)C(F)(F)F'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,948 | strip_catalogue_altlabels | altLabel | [{"@value":"CF3COOH","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consens… | [{"@value":"CF3COOH","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consens… | Removed 1 catalogue altLabel value(s): 'NSC 77366' (registry code) |
| 299,617 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/08a91e70-3ddc-… | associations resolved on the elementary layer |
| 390,080 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2HF3O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2HF3O2"],… | typed the way the ontology types it |
| 397,544 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
20 activitiesOne activity per change: which version of the flow it consumed, and which it produced. The values are on the change with the same number — stored once, not twice.
| Activity | Field | Agent | Used | Generated |
|---|---|---|---|---|
| ef:activity/change/20260821T1302361922970000/8239 | prefLabel | ef:agent/bootstrap_labels | ef:flow/08a91e70-3ddc-11dd-9a5e-0050c2490048/v0 | ef:flow/08a91e70-3ddc-11dd-9a5e-0050c2490048/v1 |
| ef:activity/change/20260821T1302361922970000/8240 | name | ef:agent/bootstrap_labels | ef:flow/08a91e70-3ddc-11dd-9a5e-0050c2490048/v1 | ef:flow/08a91e70-3ddc-11dd-9a5e-0050c2490048/v2 |
| ef:activity/change/20260821T1302361922970000/8241 | synonyms | ef:agent/bootstrap_labels | ef:flow/08a91e70-3ddc-11dd-9a5e-0050c2490048/v2 | ef:flow/08a91e70-3ddc-11dd-9a5e-0050c2490048/v3 |
| ef:activity/change/20260821T1302361922970000/37182 | context | ef:agent/default_context_mapping | ef:flow/08a91e70-3ddc-11dd-9a5e-0050c2490048/v3 | ef:flow/08a91e70-3ddc-11dd-9a5e-0050c2490048/v4 |
| ef:activity/change/20260821T1302361922970000/37183 | context_iri | ef:agent/default_context_mapping | ef:flow/08a91e70-3ddc-11dd-9a5e-0050c2490048/v4 | ef:flow/08a91e70-3ddc-11dd-9a5e-0050c2490048/v5 |
| ef:activity/change/20260821T1302361922970000/216082 | unit_iri | ef:agent/unit_normalization | ef:flow/08a91e70-3ddc-11dd-9a5e-0050c2490048/v5 | ef:flow/08a91e70-3ddc-11dd-9a5e-0050c2490048/v6 |
| ef:activity/change/20260821T1302361922970000/223036 | prefLabel | ef:agent/normalize_name_case | ef:flow/08a91e70-3ddc-11dd-9a5e-0050c2490048/v6 | ef:flow/08a91e70-3ddc-11dd-9a5e-0050c2490048/v7 |
| ef:activity/change/20260821T1302361922970000/235050 | properties | ef:agent/enrich_references | ef:flow/08a91e70-3ddc-11dd-9a5e-0050c2490048/v7 | ef:flow/08a91e70-3ddc-11dd-9a5e-0050c2490048/v8 |
| ef:activity/change/20260821T1302361922970000/235051 | skos_definition | ef:agent/enrich_references | ef:flow/08a91e70-3ddc-11dd-9a5e-0050c2490048/v8 | ef:flow/08a91e70-3ddc-11dd-9a5e-0050c2490048/v9 |
| ef:activity/change/20260821T1302361922970000/235052 | references | ef:agent/enrich_references | ef:flow/08a91e70-3ddc-11dd-9a5e-0050c2490048/v9 | ef:flow/08a91e70-3ddc-11dd-9a5e-0050c2490048/v10 |
| ef:activity/change/20260821T1302361922970000/250574 | properties | ef:agent/rdkit_pre_consensus | ef:flow/08a91e70-3ddc-11dd-9a5e-0050c2490048/v10 | ef:flow/08a91e70-3ddc-11dd-9a5e-0050c2490048/v11 |
| ef:activity/change/20260821T1302361922970000/255519 | altLabel | ef:agent/chebi_altlabels | ef:flow/08a91e70-3ddc-11dd-9a5e-0050c2490048/v11 | ef:flow/08a91e70-3ddc-11dd-9a5e-0050c2490048/v12 |
| ef:activity/change/20260821T1302361922970000/272946 | altLabel | ef:agent/consensus_match | ef:flow/08a91e70-3ddc-11dd-9a5e-0050c2490048/v12 | ef:flow/08a91e70-3ddc-11dd-9a5e-0050c2490048/v13 |
| ef:activity/change/20260821T1302361922970000/272947 | cas_match_labels | ef:agent/consensus_match | ef:flow/08a91e70-3ddc-11dd-9a5e-0050c2490048/v13 | ef:flow/08a91e70-3ddc-11dd-9a5e-0050c2490048/v14 |
| ef:activity/change/20260821T1302361922970000/275739 | properties | ef:agent/opsin_iupac | ef:flow/08a91e70-3ddc-11dd-9a5e-0050c2490048/v14 | ef:flow/08a91e70-3ddc-11dd-9a5e-0050c2490048/v15 |
| ef:activity/change/20260821T1302361922970000/282295 | properties | ef:agent/rdkit_post_consensus | ef:flow/08a91e70-3ddc-11dd-9a5e-0050c2490048/v15 | ef:flow/08a91e70-3ddc-11dd-9a5e-0050c2490048/v16 |
| ef:activity/change/20260821T1302361922970000/288948 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/08a91e70-3ddc-11dd-9a5e-0050c2490048/v16 | ef:flow/08a91e70-3ddc-11dd-9a5e-0050c2490048/v17 |
| ef:activity/change/20260821T1302361922970000/299617 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/08a91e70-3ddc-11dd-9a5e-0050c2490048/v17 | ef:flow/08a91e70-3ddc-11dd-9a5e-0050c2490048/v18 |
| ef:activity/change/20260821T1302361922970000/390080 | properties | ef:agent/normalise_property_values | ef:flow/08a91e70-3ddc-11dd-9a5e-0050c2490048/v18 | ef:flow/08a91e70-3ddc-11dd-9a5e-0050c2490048/v19 |
| ef:activity/change/20260821T1302361922970000/397544 | types | ef:agent/link_flows_to_their_substance | ef:flow/08a91e70-3ddc-11dd-9a5e-0050c2490048/v19 | ef:flow/08a91e70-3ddc-11dd-9a5e-0050c2490048/v20 |