Basic information
- Standard SMILES
CCCCOC1CCC(OC(=O)c2ccc(C3CCC(C(F)(F)C(F)(F)F)CC3)cc2)CC1- InChIKey
HAAGAJMCMOIYBO-UHFFFAOYSA-N- Molecular formula
- C25H33F5O3
- Average molar mass
- 476.5 g/mol
- Monoisotopic mass
- 476.23498572
Names & identifiers
- Preferred name
- pEtcHBzo4OcH
- IUPAC
- (4-butoxycyclohexyl) 4-[4-(1,1,2,2,2-pentafluoroethyl)cyclohexyl]benzoate
Names & synonyms
pEtcHBzo4OcHDTXSID3013817614-butoxycyclohexyl 4-(4-(perfluoroethyl)cyclohexyl)benzoate4-butoxycyclohexyl 4-[4-(pentafluoroethyl)cyclohexyl]benzoate
Database identifiers
- PubChem CID
- 175685047
- DTXSID
DTXSID301381761
Properties
Computed structural properties
- XLogP
- 7.9
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 600
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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