Basic information
- CAS
1393117-59-3- Standard SMILES
CCCCC1CCC(C2CCC(c3ccc(-c4ccc(C(F)(F)F)c(F)c4)cc3)CC2)CC1- InChIKey
QAURPJAQIHSJGU-UHFFFAOYSA-N- Molecular formula
- C29H36F4
- Average molar mass
- 460.6 g/mol
- Monoisotopic mass
- 460.2753138
Names & identifiers
- Preferred name
- 4bcHtFMeFB
- IUPAC
- 4-[4-[4-(4-butylcyclohexyl)cyclohexyl]phenyl]-2-fluoro-1-(trifluoromethyl)benzene
Names & synonyms
4bcHtFMeFBDTXSID3013810544'-(4'-butyl-[1,1'-bi(cyclohexan)]-4-yl)-3-fluoro-4-(trifluoromethyl)-1,1'-biphenyl1393117-59-34a(2)-[(trans,trans)-4a(2)-Butyl[1,1a(2)-bicyclohexyl]-4-yl]-3-fluoro-4-(trifluoromethyl)-1,1a(2)-biphenyl
Database identifiers
- CAS
1393117-59-3- PubChem CID
- 175685709
- DTXSID
DTXSID301381054- Nikkaji
- J3.669.492K
Properties
Computed structural properties
- XLogP
- 11.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 563
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…