Propanoic acid, pentafluoro-, 1-phenyl-1,2-ethanediyl ester
Basic information
- CAS
55683-13-1- Standard SMILES
O=C(OCC(OC(=O)C(F)(F)C(F)(F)F)c1ccccc1)C(F)(F)C(F)(F)F- InChIKey
RDPUGQNOTAYRPE-UHFFFAOYSA-N- Molecular formula
- C14H8F10O4
- Average molar mass
- 430.19 g/mol
- Monoisotopic mass
- 430.02629035
Names & identifiers
- Preferred name
- Propanoic acid, pentafluoro-, 1-phenyl-1,2-ethanediyl ester
- IUPAC
- [2-(2,2,3,3,3-pentafluoropropanoyloxy)-2-phenylethyl] 2,2,3,3,3-pentafluoropropanoate
Names & synonyms
Propanoic acid, pentafluoro-, 1-phenyl-1,2-ethanediyl esterRDPUGQNOTAYRPE-UHFFFAOYSA-NDTXSID30104538155683-13-1[2-(Perfluoropropanoyloxy)-2-phenylethyl] perfluoropropanoate2-[(2,2,3,3,3-Pentafluoropropanoyl)oxy]-1-phenylethyl 2,2,3,3,3-pentafluoropropanoate #
Database identifiers
- CAS
55683-13-1- PubChem CID
- 620150
- DTXSID
DTXSID301045381- Nikkaji
- J542.422D
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 563
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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