Consensus flow list

Identity

Type
Neutral molecule
CAS
4301-50-2
EC
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Fluenetil

Alternative labels

11

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string XAERLJMOUYEBAB-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C16H15FO2/c17-10-11-19-16(18)12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9H,10-12H2
IUPAC name chemrof:IUPAC_name 2-Fluoroethyl 2-(4-phenylphenyl)acetate
Molecular formula chemrof:molecular_formula C16H15FO2
Molecular mass chemrof:molecular_mass 258.292
Monoisotopic mass chemrof:monoisotopic_mass 258.105608, 258.10561
SMILES string chemrof:smiles_string O=C(Cc1ccc(-c2ccccc2)cc1)OCCF

Known URLs

12

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=4301-50-2 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:82161 enrich_references.chebi_id_link
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9058103 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/S8K34P1L02 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J8.702E enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C19031 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C19031 enrich_references.pubchem_identifier_url
ppdb ppdb:2780 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/20288 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2588 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q5462651 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Fluenetil enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
83873a76-6578-4e68-9d6e-39a83d10730a Environmental → Air → Aircraft cruise height EF 3.1 kg 2
b1b5779a-7bad-4a0a-8540-ad1eeff5ee40 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
bf1798b6-625c-4825-9eba-9868bfe4dce5 Environmental → Air → Indoor EF 3.1 kg 2
69885033-8ea9-4d4a-9baa-695f0c3f2697 Environmental → Air → Long-term EF 3.1 kg 0
2d3fc8ef-582b-4db0-8b30-41d2f6d235b5 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
ca16fe1c-9b20-4cf0-980a-88c397574f53 Environmental → Air → Unknown EF 3.1 kg 2
343765e3-b123-4769-b9b5-c2bb843b9085 Environmental → Ground → Agricultural EF 3.1 kg 2
2807dfb6-5657-4e7e-af61-4c28c37dd9bd Environmental → Ground → Non-agricultural EF 3.1 kg 2
9e88fa5c235e688702f23129a91e4bebc47e81f3 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
c5c8bc36-faf0-4d43-a004-1b5a8130ffec Environmental → Ground → Unknown EF 3.1 kg 2
6efce724-9c31-49f4-bec3-a9cd83e9e292 Environmental → Water → Long-term EF 3.1 kg 0
50720394-10e5-4256-bb6b-b9f716c7968e Environmental → Water → Ocean EF 3.1 kg 2
1c41ed88-ab3b-4293-be46-161491824dc2 Environmental → Water → Surface water EF 3.1 kg 2
fe0df2b4-a0ab-46bf-9e33-5707904ee439 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-e596fc0095d423ca",
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    {
      "@value": "Fluenetil",
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      "@lang": "en",
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        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
    }
  ],
  "altLabel": [
    {
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      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Biphenylacetic acid, 2-fluoroethyl ester",
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        ],
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      }
    },
    {
      "@value": "[1,1′-Biphenyl]-4-acetic acid, 2-fluoroethyl ester",
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    },
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    },
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    },
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    },
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}

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