Basic information
- CAS
62510-19-4- Standard SMILES
COC(=O)C(OC(=O)C(F)(F)C(F)(F)F)c1ccc(OC(=O)C(F)(F)C(F)(F)F)c(OC)c1- InChIKey
NLGXQXMWPNVCSU-UHFFFAOYSA-N- Molecular formula
- C16H10F10O7
- Average molar mass
- 504.23 g/mol
- Monoisotopic mass
- 504.02668427
Names & identifiers
- Preferred name
- Benzeneacetic acid, 3-methoxy-alpha,4-bis(2,2,3,3,3-pentafluoro-1-oxopropoxy)-, methyl ester
- IUPAC
- [2-methoxy-4-[2-methoxy-2-oxo-1-(2,2,3,3,3-pentafluoropropanoyloxy)ethyl]phenyl] 2,2,3,3,3-pentafluoropropanoate
Names & synonyms
Methyl O,O'-bis(pentafluoropropionoyl)vanilmandelateNLGXQXMWPNVCSU-UHFFFAOYSA-NDTXSID60104535462510-19-4Benzeneacetic acid, 3-methoxy-.alpha.,4-bis(2,2,3,3,3-pentafluoro-1-oxopropoxy)-, methyl ester[2-Methoxy-4-[2-methoxy-2-oxo-1-(perfluoropropanoyloxy)ethyl]phenyl] perfluoropropanoate2-Methoxy-4-(2-methoxy-2-oxo-1-[(2,2,3,3,3-pentafluoropropanoyl)oxy]ethyl)phenyl 2,2,3,3,3-pentafluoropropanoate #
Database identifiers
- CAS
62510-19-4- PubChem CID
- 577380
- DTXSID
DTXSID601045354- Nikkaji
- J530.135A
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 88.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 10
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 734
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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