HFE-7100

Property	Value
InChI2D key string chemrof:inchi2d_key_string	IOOVIIUXHLMNFE-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C5H3F9O/c6-3(7,8)2(1-15,4(9,10)11)5(12,13)14/h15H,1H2
IUPAC name chemrof:IUPAC_name	3,3,3-trifluoro-2,2-bis(trifluoromethyl)-1-propanol, 3,3,3-trifluoro-2,2-bis(trifluoromethyl)propan-1-ol, 3,3,3-tris(fluoranyl)-2,2-bis(trifluoromethyl)propan-1-ol
Molecular formula chemrof:molecular_formula	C5H3F9O
Molecular mass chemrof:molecular_mass	250.06
Monoisotopic mass chemrof:monoisotopic_mass	250.004019
SMILES string chemrof:smiles_string	C(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)O

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=14117-17-0	enrich_references.consensus_cas_link
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID40161583	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/139688	enrich_references.pubchem_compound
wikidata.org	https://www.wikidata.org/wiki/Q81985460	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit
64b1f561-6556-11dd-ad8b-0800200c9a66	Environmental → Air → Aircraft cruise height	EF 3.1	kg
fe0acd60-3ddc-11dd-a399-0050c2490048	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg
fe0acd60-3ddc-11dd-a398-0050c2490048	Environmental → Air → Long-term	EF 3.1	kg
fe0acd60-3ddc-11dd-a39a-0050c2490048	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg
fe0acd60-3ddc-11dd-a397-0050c2490048	Environmental → Air → Unknown	EF 3.1	kg
64b1f55f-6556-11dd-ad8b-0800200c9a66	Environmental → Ground → Agricultural	EF 3.1	kg
64b1f562-6556-11dd-ad8b-0800200c9a66	Environmental → Ground → Non-agricultural	EF 3.1	kg
64b1f564-6556-11dd-ad8b-0800200c9a66	Environmental → Ground → Unknown	EF 3.1	kg
64b1f566-6556-11dd-ad8b-0800200c9a66	Environmental → Water → Long-term	EF 3.1	kg
64b1f563-6556-11dd-ad8b-0800200c9a66	Environmental → Water → Ocean	EF 3.1	kg
64b1f560-6556-11dd-ad8b-0800200c9a66	Environmental → Water → Surface water	EF 3.1	kg
64b1f565-6556-11dd-ad8b-0800200c9a66	Environmental → Water → Unknown	EF 3.1	kg

Everything that changed this substance (48 changes)

Open the changes page

Flow object JSON

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}

HFE-7100

Identity

Structure

Properties

Known URLs

Elementary flows

History

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