Basic information
- CAS
65432-46-4- Standard SMILES
CCSC(c1ccccc1)C(F)(F)F- InChIKey
XNFJIBGCYQXXBI-UHFFFAOYSA-N- Molecular formula
- C10H11F3S
- Average molar mass
- 220.26 g/mol
- Monoisotopic mass
- 220.05335601
Names & identifiers
- Preferred name
- (1-Ethylsulfanyl-2,2,2-trifluoroethyl)benzene
- IUPAC
- (1-ethylsulfanyl-2,2,2-trifluoroethyl)benzene
Names & synonyms
65432-46-4AGN-PC-00FT07DTXSID20472189[1-(ETHYLSULFANYL)-2,2,2-TRIFLUOROETHYL]BENZENE
Database identifiers
- CAS
65432-46-4- PubChem CID
- 11769986
- DTXSID
DTXSID20472189
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 161
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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