1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-Pentacosafluorohentriacontane
Basic information
- CAS
264229-79-0- Standard SMILES
CCCCCCCCCCCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)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- InChIKey
UWHCDIVGZGOVSH-UHFFFAOYSA-N- Molecular formula
- C31H39F25
- Average molar mass
- 886.6 g/mol
- Monoisotopic mass
- 886.2652553
Names & identifiers
- Preferred name
- 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-Pentacosafluorohentriacontane
- IUPAC
- 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-pentacosafluorohentriacontane
Names & synonyms
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-PentacosafluorohentriacontaneDTXSID60895459264229-79-0RefChem:212544DTXCID101324975SCHEMBL30229455NS00111045
Database identifiers
- CAS
264229-79-0- PubChem CID
- 91045644
- DTXSID
DTXSID60895459- Nikkaji
- J2.341.042G
Properties
Computed structural properties
- XLogP
- 18.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 25
- Rotatable bonds
- 28
- Heavy atoms
- 56
- Formal charge
- 0
- Complexity
- 1,170
Experimental & physicochemical properties
PFAS
PFAS -> OECD Category
PFAS -> Other/unspecified
Chemistry & industry
Uses & manufacturing
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
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Related reactions
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Compound notes
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