Benzeneacetic acid, 4-(2,2,3,3,3-pentafluoro-1-oxopropoxy)-, methyl ester
Basic information
- CAS
55683-22-2- Standard SMILES
COC(=O)Cc1ccc(OC(=O)C(F)(F)C(F)(F)F)cc1- InChIKey
OWWLWJOYZHPHRY-UHFFFAOYSA-N- Molecular formula
- C12H9F5O4
- Average molar mass
- 312.19 g/mol
- Monoisotopic mass
- 312.04209957
Names & identifiers
- Preferred name
- Benzeneacetic acid, 4-(2,2,3,3,3-pentafluoro-1-oxopropoxy)-, methyl ester
- IUPAC
- [4-(2-methoxy-2-oxoethyl)phenyl] 2,2,3,3,3-pentafluoropropanoate
Names & synonyms
Benzeneacetic acid, 4-(2,2,3,3,3-pentafluoro-1-oxopropoxy)-, methyl esterOWWLWJOYZHPHRY-UHFFFAOYSA-NDTXSID30104537955683-22-2[4-(2-Methoxy-2-oxoethyl)phenyl] perfluoropropanoate4-(2-Methoxy-2-oxoethyl)phenyl 2,2,3,3,3-pentafluoropropanoate #
Database identifiers
- CAS
55683-22-2- PubChem CID
- 620184
- DTXSID
DTXSID301045379- Nikkaji
- J543.030E
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 386
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…