Basic information
- CAS
50561-96-1- Standard SMILES
Cc1cccc(CC(F)F)c1- InChIKey
JPIOSJQDBIGEFA-UHFFFAOYSA-N- Molecular formula
- C9H10F2
- Average molar mass
- 156.17 g/mol
- Monoisotopic mass
- 156.07505664
Names & identifiers
- Preferred name
- 1-(2,2-Difluoroethyl)-3-methylbenzene
- IUPAC
- 1-(2,2-difluoroethyl)-3-methylbenzene
Names & synonyms
1-(2,2-difluoroethyl)-3-methylbenzene50561-96-1NSC142241SCHEMBL20204821DTXSID50301296JPIOSJQDBIGEFA-UHFFFAOYSA-NNSC-1422411-(2,2-difluoroethyl)-3-methyl-benzeneDS-000223
Database identifiers
- CAS
50561-96-1- PubChem CID
- 285376
- DTXSID
DTXSID50301296
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 112
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…