2-Fluoro-4-trifluoromethyl-benzamidine
Basic information
- CAS
885957-02-8- Standard SMILES
N=C(N)c1ccc(C(F)(F)F)cc1F- InChIKey
XPSIMQXIRRBQFF-UHFFFAOYSA-N- Molecular formula
- C8H6F4N2
- Average molar mass
- 206.14 g/mol
- Monoisotopic mass
- 206.04671085
Names & identifiers
- Preferred name
- 2-Fluoro-4-trifluoromethyl-benzamidine
- IUPAC
- 2-fluoro-4-(trifluoromethyl)benzenecarboximidamide
- English name
- 2-Fluoro-4-trifluoromethyl-benzamidine
- Molecular formula
- C8H6F4N2
- Molecular weight
- 206.14
Names & synonyms
885957-02-82-Fluoro-4-trifluoromethyl-benzamidine2-Fluoro-4-(trifluoromethyl)benzimidamide2-fluoro-4-(trifluoromethyl)benzenecarboximidamide2-fluoro-4-(trifluoromethyl)benzene-1-carboximidamideMFCD05663134DTXSID20399781XPSIMQXIRRBQFF-UHFFFAOYSA-N2-fluoro-4-trifluoro-methylbenzamidineSB39595DB-261024EN300-1938035
Show more names
Benzenecarboximidamide, 2-fluoro-4-(trifluoromethyl)-
Database identifiers
- CAS
885957-02-8- PubChem CID
- 4138243
- DTXSID
DTXSID20399781
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 49.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 226
Physicochemical properties
- Boiling point
- 208.5 · 208.5±50.0 °C(Predicted)
- Density
- 1.43 · 1.43±0.1 g/cm3(Predicted)
- pka
- 10.21 · 10.21±0.50(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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