Basic information
- CAS
29484-98-8- Standard SMILES
CCOC(=O)CNC(C)Cc1cccc(C(F)(F)F)c1- InChIKey
KGFKDHXNUQIRQW-UHFFFAOYSA-N- Molecular formula
- C14H18F3NO2
- Average molar mass
- 289.29 g/mol
- Monoisotopic mass
- 289.1289633
Names & identifiers
- Preferred name
- Acetic acid, (alpha-methyl-m-trifluoromethylphenethylamino)-, ethyl ester
- IUPAC
- ethyl 2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]acetate
- English name
- [1-Methyl-2-(3-trifluoromethylphenyl)ethyl]aminoacetic acid ethyl ester
- Molecular weight
- 0
Names & synonyms
29484-98-8(alpha-Methyl-m-trifluoromethylphenethylamino)acetic acid ethyl esterACETIC ACID, (alpha-METHYL-m-TRIFLUOROMETHYLPHENETHYLAMINO)-, ETHYL ESTERRefChem:316292DTXSID90951996ethyl N-{1-[3-(trifluoromethyl)phenyl]propan-2-yl}glycinate[1-Methyl-2-(3-trifluoromethylphenyl)ethyl]aminoacetic acid ethyl ester
Database identifiers
- CAS
29484-98-8- PubChem CID
- 34602
- DTXSID
DTXSID90951996- Nikkaji
- J54.952E
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 307
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…