Acetamide, N-(alpha-methyl-m-trifluoromethylphenethyl)-
Basic information
- CAS
40552-64-5- Standard SMILES
CC(=O)NC(C)Cc1cccc(C(F)(F)F)c1- InChIKey
ZVKARXLKNIBGIR-UHFFFAOYSA-N- Molecular formula
- C12H14F3NO
- Average molar mass
- 245.24 g/mol
- Monoisotopic mass
- 245.10274856
Names & identifiers
- Preferred name
- Acetamide, N-(alpha-methyl-m-trifluoromethylphenethyl)-
- IUPAC
- N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]acetamide
- English name
- N-[1-Methyl-2-[3-(trifluoromethyl)phenyl]ethyl]acetamide
- Molecular formula
- C12H14F3NO
- Molecular weight
- 245.24
Names & synonyms
40552-64-5ACETAMIDE, N-(alpha-METHYL-m-TRIFLUOROMETHYLPHENETHYL)-RefChem:1075378N-(alpha-Methyl-m-trifluoromethylphenethyl)acetamideBRN 2855561N-{1-[3-(trifluoromethyl)phenyl]propan-2-yl}acetamideSCHEMBL18888316DTXSID30891589ZVKARXLKNIBGIR-UHFFFAOYSA-NNS00014440FEN_246.1101_16.1N-[1-Methyl-2-[3-(trifluoromethyl)phenyl]ethyl]acetamide
Show more names
Acetamide, N-[1-methyl-2-[3-(trifluoromethyl)phenyl]ethyl]-
Database identifiers
- CAS
40552-64-5- PubChem CID
- 38514
- DTXSID
DTXSID30891589- Nikkaji
- J54.110I
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 265
Physicochemical properties
- Boiling point
- 343.7 · 343.7±42.0 °C(Predicted)
- Density
- 1.159 · 1.159±0.06 g/cm3(Predicted)
- pka
- 15.91 · 15.91±0.46(Predicted)
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Related reactions
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Compound notes
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