Basic information
- Standard SMILES
N#Cc1ccc([N+](=O)[O-])c(OC(CF)CF)c1- InChIKey
WGWCJUAZKIDMTE-UHFFFAOYSA-N- Molecular formula
- C10H8F2N2O3
- Average molar mass
- 242.18 g/mol
Names & identifiers
- Preferred name
- 3-(2-Fluoro-1-fluoromethyl-ethoxy)-4-nitro-benzonitrile
- IUPAC
- 3-(1,3-difluoropropan-2-yloxy)-4-nitrobenzonitrile
Names & synonyms
SCHEMBL2368600WGWCJUAZKIDMTE-UHFFFAOYSA-N3-(2-Fluoro-1-fluoromethyl-ethoxy)-4-nitro-benzonitrile
Database identifiers
- PubChem CID
- 58413384
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 78.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 308
Related reactions
2 records
Compound notes
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