Basic information
- CAS
959033-16-0- Standard SMILES
CCCCCCCOC(=O)C(F)(F)C(F)(F)F- InChIKey
XVYGQEAPOGQAKL-UHFFFAOYSA-N- Molecular formula
- C10H15F5O2
- Average molar mass
- 262.22 g/mol
- Monoisotopic mass
- 262.09922053
Names & identifiers
- Preferred name
- Heptyl pentafluoropropionate
- IUPAC
- heptyl 2,2,3,3,3-pentafluoropropanoate
Names & synonyms
Heptyl pentafluoropropionatepentafluoropropionic acid heptyl esterSCHEMBL2690881DTXSID701353704Pentafluoropropionic acid, heptyl ester959033-16-0
Database identifiers
- CAS
959033-16-0- PubChem CID
- 534741
- DTXSID
DTXSID701353704
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 237
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…