4bcHtFMeOdFP
Basic information
- CAS
160310-33-8- Standard SMILES
CCCCC1CCC(C2CCC(c3cc(F)c(OC(F)(F)F)c(F)c3)CC2)CC1- InChIKey
RMJWUBJEVJWKTQ-UHFFFAOYSA-N- Molecular formula
- C23H31F5O
- Average molar mass
- 418.5 g/mol
- Monoisotopic mass
- 418.22950642
Names & identifiers
- Preferred name
- 4bcHtFMeOdFP
- IUPAC
- 5-[4-(4-butylcyclohexyl)cyclohexyl]-1,3-difluoro-2-(trifluoromethoxy)benzene
Names & synonyms
4bcHtFMeOdFPDTXSID5013801454-butyl-4'-(3,5-difluoro-4-(trifluoromethoxy)phenyl)-1,1'-bi(cyclohexane)160310-33-85-[(trans,trans)-4a(2)-Butyl[1,1a(2)-bicyclohexyl]-4-yl]-1,3-difluoro-2-(trifluoromethoxy)benzene
Database identifiers
- CAS
160310-33-8- PubChem CID
- 175685822
- DTXSID
DTXSID501380145
Properties
Computed structural properties
- XLogP
- 10.2
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 468
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Compound notes
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