Basic information
- CAS
50512-33-9- Standard SMILES
FCCc1cccc(C(F)(F)F)c1- InChIKey
QMWQYBIKMAPQRB-UHFFFAOYSA-N- Molecular formula
- C9H8F4
- Average molar mass
- 192.15 g/mol
- Monoisotopic mass
- 192.0562129
Names & identifiers
- Preferred name
- 1-(2-Fluoroethyl)-3-(trifluoromethyl)benzene
- IUPAC
- 1-(2-fluoroethyl)-3-(trifluoromethyl)benzene
Names & synonyms
1-(2-fluoroethyl)-3-(trifluoromethyl)benzene50512-33-9DTXSID70301298RefChem:223462DTXCID10252432NSC142243SCHEMBL14549528NSC-1422431-(trifluoromethyl)-3-(2-fluoroethyl)benzeneBenzene, 1-(2-fluoroethyl)-3-trifluoromethyl
Database identifiers
- CAS
50512-33-9- PubChem CID
- 285378
- DTXSID
DTXSID70301298
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 152
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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