Carbamic acid, N-(alpha-methyl-m-trifluoromethylphenethyl)-, ethyl ester
Basic information
- CAS
27891-33-4- Standard SMILES
CCOC(=O)NC(C)Cc1cccc(C(F)(F)F)c1- InChIKey
BAXFKXBEBIPHLF-UHFFFAOYSA-N- Molecular formula
- C13H16F3NO2
- Average molar mass
- 275.27 g/mol
- Monoisotopic mass
- 275.11331324
Names & identifiers
- Preferred name
- Carbamic acid, N-(alpha-methyl-m-trifluoromethylphenethyl)-, ethyl ester
- IUPAC
- ethyl N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]carbamate
- English name
- N-[1-Methyl-2-[3-(trifluoromethyl)phenyl]ethyl]carbamic acid ethyl ester
- Molecular formula
- C13H16F3NO2
- Molecular weight
- 275.27
Names & synonyms
N-(alpha-Methyl-3-trifluoromethylphenethyl)carbamic acid ethyl esterBRN 214726527891-33-4CARBAMIC ACID, N-(alpha-METHYL-m-TRIFLUOROMETHYLPHENETHYL)-, ETHYL ESTERCarbamic acid, (1-methyl-2-(3-(trifluoromethyl)phenyl)ethyl)-, ethyl esterRefChem:332671DTXSID60950572BAXFKXBEBIPHLF-UHFFFAOYSA-NEthyl hydrogen {1-[3-(trifluoromethyl)phenyl]propan-2-yl}carbonimidateN-[1-Methyl-2-[3-(trifluoromethyl)phenyl]ethyl]carbamic acid ethyl esterCarbamic acid, [1-methyl-2-[3-(trifluoromethyl)phenyl]ethyl]-, ethyl ester (9CI)
Database identifiers
- CAS
27891-33-4- PubChem CID
- 34054
- DTXSID
DTXSID60950572- Nikkaji
- J42.806J
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 294
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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