Basic information
- CAS
82396-51-8- Standard SMILES
Cc1ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1- InChIKey
MTNQRVPPULDKMX-UHFFFAOYSA-N- Molecular formula
- C15H7F17
- Average molar mass
- 510.19 g/mol
- Monoisotopic mass
- 510.027629
Names & identifiers
- Preferred name
- 1-(Heptadecafluorooctyl)-4-methylbenzene
- IUPAC
- 1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-4-methylbenzene
Names & synonyms
1-(Heptadecafluorooctyl)-4-methylbenzeneDTXSID8089565382396-51-8RefChem:226699DTXCID301325167SCHEMBL11217955MTNQRVPPULDKMX-UHFFFAOYSA-NNS00111756
Database identifiers
- CAS
82396-51-8- PubChem CID
- 10697027
- DTXSID
DTXSID80895653- Nikkaji
- J684.481B
Properties
Computed structural properties
- XLogP
- 7.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 666
Experimental & physicochemical properties
PFAS
PFAS -> OECD Category
PFAS -> Other/unspecified
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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