Basic information
- CAS
1427-34-5- Standard SMILES
COc1ccc(C(Cl)C(F)(F)F)cc1- InChIKey
YLITYVXPYIDNLA-UHFFFAOYSA-N- Molecular formula
- C9H8ClF3O
- Average molar mass
- 224.61 g/mol
- Monoisotopic mass
- 224.0215771
Names & identifiers
- Preferred name
- 1-(1-Chloro-2,2,2-trifluoroethyl)-4-methoxybenzene
- IUPAC
- 1-(1-chloro-2,2,2-trifluoroethyl)-4-methoxybenzene
Names & synonyms
1-(1-chloro-2,2,2-trifluoroethyl)-4-methoxybenzene1427-34-5RefChem:222428NSC558751-Methoxy-4-(1-chloro-2,2,2-trifluoroethyl)benzeneSCHEMBL7605180DTXSID301228329NSC-55875AKOS009144729Benzene, 1-methoxy-4-(1-chloro-2,2,2-trifluoroethyl)
Database identifiers
- CAS
1427-34-5- PubChem CID
- 244754
- DTXSID
DTXSID301228329- Nikkaji
- J3.025.909B
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 175
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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