Basic information
- CAS
71235-95-5- Standard SMILES
CCOC(=O)N(C(N)=O)c1ccccc1C(F)(F)F- InChIKey
FTERQIIEPDJLQN-UHFFFAOYSA-N- Molecular formula
- C11H11F3N2O3
- Average molar mass
- 276.21 g/mol
- Monoisotopic mass
- 276.0721767
Names & identifiers
- Preferred name
- Allophanic acid, 2-(alpha,alpha,alpha-trifluoro-o-tolyl)-, ethyl ester
- IUPAC
- ethyl N-carbamoyl-N-[2-(trifluoromethyl)phenyl]carbamate
Names & synonyms
SCS 15971235-95-5ALLOPHANIC ACID, 2-(alpha,alpha,alpha-TRIFLUORO-o-TOLYL)-, ETHYL ESTERBRN 28792492-(2-Trifluoromethylphenyl)allophanic acid ethyl esterEthyl 2-(o-trifluoromethylphenyl)allophanateEthyl 2-(2-trifluoromethylphenyl)allophanateDTXSID90221409Carbamic acid, (aminocarbonyl)(2-(trifluoromethyl)phenyl)-, ethyl esterRefChem:318048DTXCID40143900Carbamic acid, (aminocarbonyl)(2-(trifluoromethyl)phenyl)-, ethyl ester (9CI)
Show more names
FTERQIIEPDJLQN-UHFFFAOYSA-Nethyl carbamoyl[2-(trifluoromethyl)phenyl]carbamate
Database identifiers
- CAS
71235-95-5- PubChem CID
- 51273
- DTXSID
DTXSID90221409- Nikkaji
- J74.999K
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 347
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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