Basic information
- Standard SMILES
N#Cc1c(F)cc(OC(=O)c2ccc(C(F)(F)C(F)(F)F)cc2)cc1F- InChIKey
YETDPNVKDCUMJQ-UHFFFAOYSA-N- Molecular formula
- C16H6F7NO2
- Average molar mass
- 377.21 g/mol
- Monoisotopic mass
- 377.02867557
Names & identifiers
- Preferred name
- pEtBzodFCP
- IUPAC
- (4-cyano-3,5-difluorophenyl) 4-(1,1,2,2,2-pentafluoroethyl)benzoate
Names & synonyms
pEtBzodFCPDTXSID3013816784-cyano-3,5-difluorophenyl 4-(perfluoroethyl)benzoate4-cyano-3,5-difluorophenyl 4-(pentafluoroethyl)benzoate
Database identifiers
- PubChem CID
- 175686254
- DTXSID
DTXSID301381678
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 551
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…