Basic information
- Standard SMILES
CCCC1CC=C(c2ccc(OCC(F)(F)F)c(F)c2F)CC1- InChIKey
QXURJJATBZHNEF-UHFFFAOYSA-N- Molecular formula
- C17H19F5O
- Average molar mass
- 334.32 g/mol
- Monoisotopic mass
- 334.13560604
Names & identifiers
- Preferred name
- 3cHetFEtOdFP
- IUPAC
- 2,3-difluoro-1-(4-propylcyclohexen-1-yl)-4-(2,2,2-trifluoroethoxy)benzene
Names & synonyms
3cHetFEtOdFPDTXSID3013797882',3'-difluoro-4-propyl-4'-(2,2,2-trifluoroethoxy)-2,3,4,5-tetrahydro-1,1'-biphenyl2',3'-difluoro-4-propyl-4'-(2,2,2-trifluoroethoxy)-2,3,4,5-tetrahydro-biphenyl
Database identifiers
- PubChem CID
- 175685778
- DTXSID
DTXSID301379788
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 406
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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