3-Fluoro-5-(trichloromethyl)aniline
Basic information
- CAS
1208078-37-8- Standard SMILES
Nc1cc(F)cc(C(Cl)(Cl)Cl)c1- InChIKey
YYNYSIMQVRUCAH-UHFFFAOYSA-N- Molecular formula
- C7H5Cl3FN
- Average molar mass
- 228.5 g/mol
- Monoisotopic mass
- 226.94716
Names & identifiers
- Preferred name
- 3-Fluoro-5-(trichloromethyl)aniline
- IUPAC
- 3-fluoro-5-(trichloromethyl)aniline
- English name
- 3-Fluoro-5-trichloromethylaniline
- Molecular formula
- C7H5Cl3FN
- Molecular weight
- 228.48
Names & synonyms
3-Fluoro-5-(trichloromethyl)aniline1208078-37-83-FLUORO-5-TRICHLOROMETHYLANILINEDTXSID60719343AKOS015995456Benzenamine, 3-fluoro-5-(trichloromethyl)-
Database identifiers
- CAS
1208078-37-8- PubChem CID
- 56972247
- DTXSID
DTXSID60719343
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 159
Physicochemical properties
- Boiling point
- 294.9 · 294.9±40.0 °C(Predicted)
- Density
- 1.551 · 1.551±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 2.43 · 2.43±0.11(Predicted)
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Compound notes
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