Basic information
- CAS
50562-00-0- Standard SMILES
Cc1cccc(CC(F)(F)F)c1- InChIKey
TVCBUCYMSTYMTO-UHFFFAOYSA-N- Molecular formula
- C9H9F3
- Average molar mass
- 174.16 g/mol
- Monoisotopic mass
- 174.06563477
Names & identifiers
- Preferred name
- 1-Methyl-3-(2,2,2-trifluoroethyl)benzene
- IUPAC
- 1-methyl-3-(2,2,2-trifluoroethyl)benzene
Names & synonyms
1-methyl-3-(2,2,2-trifluoroethyl)benzene50562-00-03-(2,2,2-Trifluoroethyl)tolueneBenzene,1-methyl-3-(2,2,2-trifluoroethyl)-MFCD14525513NSC142230SCHEMBL5402339SCHEMBL13773365SCHEMBL25182444DTXSID50301291TVCBUCYMSTYMTO-UHFFFAOYSA-NAKOS005257906
Show more names
NSC 142230NSC-142230DS-0067701-Methyl-3-(2,2,2-trifluoro-ethyl)-benzene
Database identifiers
- CAS
50562-00-0- PubChem CID
- 285367
- DTXSID
DTXSID50301291- Nikkaji
- J1.302.113I
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 139
Experimental & physicochemical properties
SpringerMaterials Properties19F nuclear magnetic resonance spectrum
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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