Basic information
- CAS
81089-50-1- Standard SMILES
O=C(OCCc1ccccc1)c1c(F)c(F)c(F)c(F)c1F- InChIKey
ZGQUWVXUEJTWJW-UHFFFAOYSA-N- Molecular formula
- C15H9F5O2
- Average molar mass
- 316.22 g/mol
- Monoisotopic mass
- 316.05227034
Names & identifiers
- Preferred name
- 2-Phenylethyl pentafluorobenzoate
- IUPAC
- 2-phenylethyl 2,3,4,5,6-pentafluorobenzoate
Names & synonyms
2-Phenylethyl pentafluorobenzoate81089-50-1DTXSID20335927RefChem:265354DTXCID00287016ZGQUWVXUEJTWJW-UHFFFAOYSA-NBenzoic acid, pentafluoro-, 2-phenylethyl esterBenzoic acid, pentafluoro, 2-phenylethyl ester
Database identifiers
- CAS
81089-50-1- PubChem CID
- 528024
- DTXSID
DTXSID20335927- Nikkaji
- J2.072.769A
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 359
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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