Basic information
- CAS
163671-98-5- Standard SMILES
[2H]C1CC(C2CCC(CCC)CC2)CC([2H])([2H])C1c1ccc(OC(F)(F)F)cc1- InChIKey
AJQMFUYBFQQAKA-RFZSEEEWSA-N- Molecular formula
- C22H31F3O
- Average molar mass
- 371.5 g/mol
- Monoisotopic mass
- 371.25153033
Names & identifiers
- Preferred name
- Benzene, 1-(4a(2)-propyl[1,1a(2)-bicyclohexyl]-4-yl-3,3,5-d3)-4-(trifluoromethoxy)-
- IUPAC
- 1-[2,2,6-trideuterio-4-(4-propylcyclohexyl)cyclohexyl]-4-(trifluoromethoxy)benzene
Names & synonyms
SCHEMBL14525835DTXSID901376968Benzene, 1-(4a(2)-propyl[1,1a(2)-bicyclohexyl]-4-yl-3,3,5-d3)-4-(trifluoromethoxy)-163671-98-5
Database identifiers
- CAS
163671-98-5- PubChem CID
- 59967331
- DTXSID
DTXSID901376968
Properties
Computed structural properties
- XLogP
- 9.4
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 398
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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