Basic information
- CAS
83706-97-2- Standard SMILES
OC/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
ATYZUVRSTXBJLR-OWOJBTEDSA-N- Molecular formula
- C9H5F13O
- Average molar mass
- 376.11 g/mol
- Monoisotopic mass
- 376.0132809
Names & identifiers
- Preferred name
- 3-(Perfluoro-n-hexyl)prop-2-en-1-ol
- IUPAC
- (E)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronon-2-en-1-ol
Names & synonyms
3-(Perfluoro-n-hexyl)prop-2-en-1-ol38550-47-9MFCD000423553-(perfluorohexyl)prop-2-en-1-ol1h,1h,2h,3h-perfluoronon-2-en-1-ol83706-97-2(2E)-4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluoro-2-nonen-1-olSCHEMBL86199043-Perfluoro-n-hexylprop-2-enolDTXSID80896761(2E)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronon-2-en-1-ol(E)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronon-2-en-1-ol
Show more names
AKOS015852861AKOS025310016(E)-3-(Perfluorohexyl)-2-propen-1-olBS-28139SY062563NS00111852F007071
Database identifiers
- CAS
83706-97-2- PubChem CID
- 5708693
- DTXSID
DTXSID80896761- Nikkaji
- J874.595A
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 447
Experimental & physicochemical properties
PFASPFAS -> OECD Category
Chemistry & industry
Uses & manufacturing
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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