Pentafluoropropionic acid, pentadecyl ester

HCID 537282

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Basic information

CAS: 959092-08-1
Standard SMILES: CCCCCCCCCCCCCCCOC(=O)C(F)(F)C(F)(F)F
InChIKey: SOIQTDZYLNEIHG-UHFFFAOYSA-N
Molecular formula: C18H31F5O2
Average molar mass: 374.4 g/mol
Monoisotopic mass: 374.22442104

Names & identifiers

Preferred name: Pentafluoropropionic acid, pentadecyl ester
IUPAC: pentadecyl 2,2,3,3,3-pentafluoropropanoate

Names & synonyms

Pentafluoropropionic acid pentadecyl ester959092-08-1Pentafluoropropionic acid, pentadecyl esterpentadecyl pentafluoropropionateSCHEMBL29078878SOIQTDZYLNEIHG-UHFFFAOYSA-NDTXSID301353714PENTAFLUOROPROPIONIC ACID,PENTADECYL ESTER

Database identifiers

CAS: 959092-08-1
PubChem CID: 537282
DTXSID: DTXSID301353714

Properties

Computed structural properties

XLogP: 9
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 16
Heavy atoms: 25
Formal charge: 0
Complexity: 343

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