Basic information
- Standard SMILES
Cc1cc([N+](=O)[O-])ccc1C(F)(F)C(F)(F)F- InChIKey
HQYJEBJJQPDWBP-UHFFFAOYSA-N- Molecular formula
- C9H6F5NO2
- Average molar mass
- 255.14 g/mol
- Monoisotopic mass
- 255.03186924
Names & identifiers
- Preferred name
- 1-Pentafluoroethyl-2-methyl-4-nitro-benzene
- IUPAC
- 2-methyl-4-nitro-1-(1,1,2,2,2-pentafluoroethyl)benzene
Names & synonyms
1-pentafluoroethyl-2-methyl-4-nitro-benzeneSCHEMBL4473822-Methyl-4-nitro-1-pentafluoroethyl-benzene
Database identifiers
- PubChem CID
- 10587102
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 299
Related reactions
6 records
Compound notes
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