1,1,1,2,2,4,5,5,5-nonafluoro-4-(trifluoromethyl )-3-pentanone

1,1,1,2,2,4,5,5,5-Nonafluoro-4-(trifluoromethyl)-3-pentanone
3-Pentanone, 1,1,1,2,2,4,5,5,5-nonafluoro-4-(trifluoromethyl)-
Dodecafluoro-2-methylpentan-3-one
FK 5-1-12
Heptafluoroisopropyl pentafluoroethyl ketone
Khaldon PFK 49
Perfluoro(ethyl isopropyl ketone)
Perfluoro-(4-methylpentan-3-one)
Perfluoro-2-methyl-3-pentanone

Property	Value
InChI2D key string chemrof:inchi2d_key_string	RMLFHPWPTXWZNJ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C6F12O/c7-2(4(10,11)12,5(13,14)15)1(19)3(8,9)6(16,17)18
IUPAC name chemrof:IUPAC_name	1,1,1,2,2,4,5,5,5-nonafluoro-4-(trifluoromethyl )-3-pentanone, Perfluoro-2-methyl-3-pentanone
Molecular formula chemrof:molecular_formula	C6F12O
Molecular mass chemrof:molecular_mass	316.041
Monoisotopic mass chemrof:monoisotopic_mass	315.975753
SMILES string chemrof:smiles_string	O=C(C(F)(F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F

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=756-13-8	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.103.448	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.122.198	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID4074932	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J953.676K	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/2782408	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q619868	enrich_references.pubchem_identifier_url
Wikipedia	https://en.wikipedia.org/wiki/Perfluoro(2-methyl-3-pentanone)	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
a41bfad5-d6f1-4fff-8006-f9effb5a9221	Environmental → Air → Aircraft cruise height	EF 3.1	kg	6
38d0a3e3-5f56-40e8-b191-46b97510a0ba	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	6
1577b8a4-4d17-4990-820a-ff2d80eb7576	Environmental → Air → Indoor	EF 3.1	kg	6
64775608-d065-4731-b84c-55464e03cced	Environmental → Air → Long-term	EF 3.1	kg	2
7c8b93aa-b440-4132-b452-784e2a5dbd73	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	6
a19b9ce6-e251-11e6-bf01-fe55135034f3	Environmental → Air → Unknown	EF 3.1	kg	6
a8da06b7-529f-422e-aa57-4711e9a77595	Environmental → Ground → Agricultural	EF 3.1	kg	4
39a58bac-bd07-4fc4-a08f-8bb9c3310d58	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
9fd079ed-8367-4119-b7ee-2d9423d7166d	Environmental → Ground → Unknown	EF 3.1	kg	4
7cdc9ca0-36cc-462d-96da-5bb34d9d7c14	Environmental → Water → Long-term	EF 3.1	kg	0
01edcaab-7123-4936-99d8-ab1d521d98bd	Environmental → Water → Ocean	EF 3.1	kg	4
3244492d-0605-4494-bf4d-933484645d9a	Environmental → Water → Surface water	EF 3.1	kg	4
6ff5b2e0-a1b8-464d-9a47-44f45a6bdb25	Environmental → Water → Unknown	EF 3.1	kg	4
a19ba1c8-e251-11e6-bf01-fe55135034f3 deprecated	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	6
a19b9ee4-e251-11e6-bf01-fe55135034f3 deprecated	Environmental → Air → Long-term	EF 3.1	kg	2
a19b9fd4-e251-11e6-bf01-fe55135034f3 deprecated	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	6
ce70935a-a344-4bb4-97f9-eb3aab3d326d deprecated	Environmental → Air → Unknown	EF 3.1	kg	6

Everything that changed this substance (78 changes)

Open the changes page

Flow object JSON

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        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "436-710-6"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=436-710-6"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works

1,1,1,2,2,4,5,5,5-nonafluoro-4-(trifluoromethyl )-3-pentanone

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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