Basic information
- Standard SMILES
O=[N+]([O-])c1ccc(C(F)(F)F)c2ccccc12- InChIKey
LFDGSYORQUXLRR-UHFFFAOYSA-N- Molecular formula
- C11H6F3NO2
- Average molar mass
- 241.17 g/mol
- Monoisotopic mass
- 241.03506292
Names & identifiers
- Preferred name
- 1-Nitro-4-(trifluoromethyl)naphthalene
- IUPAC
- 1-nitro-4-(trifluoromethyl)naphthalene
Names & synonyms
1-nitro-4-(trifluoromethyl)naphthaleneSCHEMBL3601801LFDGSYORQUXLRR-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 3330918
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 300
Related reactions
2 records
Compound notes
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