Pentafluoropropionic acid, hexyl ester
Basic information
- CAS
134639-01-3- Standard SMILES
CCCCCCOC(=O)C(F)(F)C(F)(F)F- InChIKey
ZNCCRAMYHTXLQS-UHFFFAOYSA-N- Molecular formula
- C9H13F5O2
- Average molar mass
- 248.19 g/mol
- Monoisotopic mass
- 248.08357046
Names & identifiers
- Preferred name
- Pentafluoropropionic acid, hexyl ester
- IUPAC
- hexyl 2,2,3,3,3-pentafluoropropanoate
Names & synonyms
Pentafluoropropionic acid, hexyl esterHexyl 2,2,3,3,3-pentafluoropropanoateHexyl pentafluoropropanoateHexyl pentafluoropropionateSCHEMBL26918181-Hexanol, pentafluoropropionateDTXSID001353327Propanoic acid, pentafluoro, hexyl esterHexyl 2,2,3,3,3-pentafluoropropanoate #2,2,3,3,3-Pentafluoro-propionic acid hexyl ester134639-01-3
Database identifiers
- CAS
134639-01-3- PubChem CID
- 526449
- DTXSID
DTXSID001353327- Nikkaji
- J793.653B
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 224
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Compound notes
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