Consensus flow list

Identity

Type
Neutral molecule
CAS
13838-16-9
EC
237-553-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
65 across every transformer

Structure

Structure diagram for Enflurane

Alternative labels

15

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string JPGQOUSTVILISH-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C3H2ClF5O/c4-1(5)3(8,9)10-2(6)7/h1-2H
IUPAC name chemrof:IUPAC_name 2-chloro-1,1,2-trifluoroethyl difluoromethyl ether
Molecular formula chemrof:molecular_formula C3H2ClF5O
Molecular mass chemrof:molecular_mass 184.491
Monoisotopic mass chemrof:monoisotopic_mass 183.97143, 183.971433
SMILES string chemrof:smiles_string FC(F)OC(F)(F)C(F)Cl

Known URLs

34

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=13838-16-9 enrich_references.chebi_xrefs
cdc.gov https://www.cdc.gov/niosh-rtecs/KN67C280.html enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:4792 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.034.126 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0887 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1020562 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB00228 enrich_references.chebi_xrefs
drugbank.ca https://www.drugbank.ca/drugs/DB00228 enrich_references.pubchem_identifier_url
drugcentral drugcentral:1009 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/1009 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=115944 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1257 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/91I69L5AY5 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0014373 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.127E enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C07516 enrich_references.chebi_xrefs
KEGG https://www.genome.jp/entry/D00543 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C07516 enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D00543 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=53155 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C47511 enrich_references.pubchem_identifier_url
patent patent:AU2014277860 enrich_references.chebi_xrefs
patent patent:US5783199 enrich_references.chebi_xrefs
pharmgkb.org https://www.pharmgkb.org/chemical/PA449461 enrich_references.pubchem_identifier_url
pharos.nih.gov https://pharos.nih.gov/ligands/GF55ZTJCSZAF enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL1257 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/3226 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=213020 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/23934553 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25386744 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/7457058 enrich_references.chebi_xrefs
reaxys reaxys:1903921 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q416740 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Enflurane enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
93087f96-e251-11e6-bf01-fe55135034f3 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
93087b0e-e251-11e6-bf01-fe55135034f3 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
66e11e66-9289-4a95-98bd-25550904b6f4 Environmental → Air → Indoor EF 3.1 kg 2
93087ec4-e251-11e6-bf01-fe55135034f3 Environmental → Air → Long-term EF 3.1 kg 2
93088054-e251-11e6-bf01-fe55135034f3 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
93087bd6-e251-11e6-bf01-fe55135034f3 Environmental → Air → Unknown EF 3.1 kg 2
998c348a-b979-47a9-a8ab-107bf23f0041 Environmental → Ground → Agricultural EF 3.1 kg 0
a01078c9-0343-49b4-9910-098a6f89b17f Environmental → Ground → Non-agricultural EF 3.1 kg 0
e6a30fd2-3da6-4643-b8d3-ba15ac7f885c Environmental → Ground → Unknown EF 3.1 kg 0
1d0a696d-9021-4cec-9b57-8c38010c41ea Environmental → Water → Long-term EF 3.1 kg 0
579fb15d-fc0a-434f-95f8-5509357aa4a9 Environmental → Water → Ocean EF 3.1 kg 0
54cdec95-fbcb-46a6-a4fe-49e8e8d30154 Environmental → Water → Surface water EF 3.1 kg 0
f02ae8f2-b778-43e4-90c7-bf29a81ede6b Environmental → Water → Unknown EF 3.1 kg 0

History

Everything that changed this substance (65 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-e8cd7a709f6fd28b",
  "prefLabel": [
    {
      "@value": "Enflurane",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(±)-Enflurane",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Chloro-1,1,2-trifluoro-1-difluoromethoxyethane",
      "@language": "en",
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      }
    },
    {
      "@value": "2-chloro-1,1,2-trifluoroethyl difluoromethyl ether",
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      }
    },
    {
      "@value": "2-chloro-1-(difluoromethoxy)-1,1,2-trifluoroethane",
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    {
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    {
      "@value": "Anesthetic Compound No. 347",
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    },
    {
      "@value": "Efrane",
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        "prov:wasDerivedFrom": "chebi synonym match"
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    },
    {
      "@value": "Ethane, 2-chloro-1-(difluoromethoxy)-1,1,2-trifluoro-",
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    {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "Ethrane",
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    {
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        "prov:wasDerivedFrom": "original name retained as altLabel"
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    },
    {
      "@value": "MeSH ID: D004737",
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    },
    {
      "@value": "Methylflurether",
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  "properties": {
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