Basic information
- Standard SMILES
C=CCCC1CCC(C2CCC(c3ccc(OCC(F)(F)F)c(F)c3F)CC2)CC1- InChIKey
UMXWKKMPOOTQOE-UHFFFAOYSA-N- Molecular formula
- C24H31F5O
- Average molar mass
- 430.5 g/mol
- Monoisotopic mass
- 430.22950642
Names & identifiers
- Preferred name
- BebcHtFEtOdFP
- IUPAC
- 1-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-2,3-difluoro-4-(2,2,2-trifluoroethoxy)benzene
Names & synonyms
BebcHtFEtOdFPDTXSID4013799174-(but-3-en-1-yl)-4'-(2,3-difluoro-4-(2,2,2-trifluoroethoxy)phenyl)-1,1'-bi(cyclohexane)4-(but-3-en-1-yl)-4'-[2,3-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]-1,1'-bi(cyclohexyl)
Database identifiers
- PubChem CID
- 175685974
- DTXSID
DTXSID401379917
Properties
Computed structural properties
- XLogP
- 9.6
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 520
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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