Octadecyl pentafluoropropionate
Basic information
- CAS
959261-25-7- Standard SMILES
CCCCCCCCCCCCCCCCCCOC(=O)C(F)(F)C(F)(F)F- InChIKey
KNCMVQBRQJKYNM-UHFFFAOYSA-N- Molecular formula
- C21H37F5O2
- Average molar mass
- 416.5 g/mol
- Monoisotopic mass
- 416.27137123
Names & identifiers
- Preferred name
- Octadecyl pentafluoropropionate
- IUPAC
- octadecyl 2,2,3,3,3-pentafluoropropanoate
Names & synonyms
Octadecyl pentafluoropropionateOctadecyl pentafluoropropanoateKNCMVQBRQJKYNM-UHFFFAOYSA-NDTXSID901353724959261-25-7
Database identifiers
- CAS
959261-25-7- PubChem CID
- 537283
- DTXSID
DTXSID901353724
Properties
Computed structural properties
- XLogP
- 10.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 19
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 383
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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