3-((2,2,2-Trifluoroethoxy)methyl)benzonitrile
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Basic information
- CAS
1016842-93-5- Standard SMILES
N#Cc1cccc(COCC(F)(F)F)c1- InChIKey
PBGMOWBZHIDDCB-UHFFFAOYSA-N- Molecular formula
- C10H8F3NO
- Average molar mass
- 215.17 g/mol
Names & identifiers
- Preferred name
- 3-((2,2,2-Trifluoroethoxy)methyl)benzonitrile
- IUPAC
- 3-(2,2,2-trifluoroethoxymethyl)benzonitrile
- English name
- 3-[(2,2,2-trifluoroethoxy)methyl]benzonitrile
- Molecular formula
- C10H8F3NO
- Molecular weight
- 215.17
Names & synonyms
1016842-93-53-((2,2,2-Trifluoroethoxy)methyl)benzonitrile3-[(2,2,2-trifluoroethoxy)methyl]benzonitrile3-(2,2,2-trifluoroethoxymethyl)benzonitrileMFCD099480083-[(2,2,2-trifluoroethoxy)methyl]benzenecarbonitrileSBB073518AKOS000192571AS-94925CS-0269129ST45255738EN300-114666
Show more names
F83423F428755Benzonitrile, 3-[(2,2,2-trifluoroethoxy)methyl]-
Database identifiers
- CAS
1016842-93-5
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 243
Physicochemical properties
- Boiling point
- 254.3 · 254.3±35.0 °C(Predicted)
- Density
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- Appearance
- Colorless to light yellow Liquid
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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