N-(4-tert-butyl-2,6-dimethylphenyl)-2,2,2-trifluoroacetamide
Basic information
- CAS
5317-70-4- Standard SMILES
Cc1cc(C(C)(C)C)cc(C)c1NC(=O)C(F)(F)F- InChIKey
KRDUPWRNVKUINH-UHFFFAOYSA-N- Molecular formula
- C14H18F3NO
- Average molar mass
- 273.29 g/mol
- Monoisotopic mass
- 273.13404868
Names & identifiers
- Preferred name
- N-(4-tert-butyl-2,6-dimethylphenyl)-2,2,2-trifluoroacetamide
- IUPAC
- N-(4-tert-butyl-2,6-dimethylphenyl)-2,2,2-trifluoroacetamide
Names & synonyms
5317-70-4N-(4-tert-butyl-2,6-dimethylphenyl)-2,2,2-trifluoroacetamideN-(2,6-DIMETHYL-4-TERT-BUTYL-PHENYL)-2,2,2-TRIFLUORO-ACETAMIDECBMicro_005062DTXSID50355239SMSF0005526CB07428BIM-0005055.P001
Database identifiers
- CAS
5317-70-4- PubChem CID
- 794585
- DTXSID
DTXSID50355239
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 321
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