Basic information
- Standard SMILES
CCCC1CC=C(c2ccc(-c3ccc(OCC4CCC(CCC)CC4)c(F)c3F)c(F)c2F)CC1- InChIKey
CAAXDSPEQSSSJU-UHFFFAOYSA-N- Molecular formula
- C31H38F4O
- Average molar mass
- 502.6 g/mol
- Monoisotopic mass
- 502.28587848
Names & identifiers
- Preferred name
- 3cHMeO-3cHeteFB
- IUPAC
- 1-[2,3-difluoro-4-(4-propylcyclohexen-1-yl)phenyl]-2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]benzene
Names & synonyms
2',2'',3',3''-tetrafluoro-4-propyl-4''-((4-propylcyclohexyl)methoxy)-2,3,4,5-tetrahydro-1,1':4',1''-terphenyl2',2'',3',3''-tetrafluoro-4-propyl-4''-[(4-propylcyclohexyl)methoxy]-2,3,4,5-tetrahydro-1,1':4',1''-terphenyl3cHMeO-3cHeteFBDTXSID201379385
Database identifiers
- PubChem CID
- 175684766
- DTXSID
DTXSID201379385
Properties
Computed structural properties
- XLogP
- 10.7
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 690
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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