(S)-tert-butyl 1-(5-(trifluoromethyl)-1H-imidazol-2-yl)ethylcarbamate

HCID 71280415
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Basic information

CAS
1426424-85-2
Standard SMILES
C[C@H](NC(=O)OC(C)(C)C)c1ncc(C(F)(F)F)[nH]1
InChIKey
XQWQFGAKQIEKRP-LURJTMIESA-N
Molecular formula
C11H16F3N3O2
Average molar mass
279.26 g/mol
Monoisotopic mass
279.11946141

Names & identifiers

Preferred name
(S)-tert-butyl 1-(5-(trifluoromethyl)-1H-imidazol-2-yl)ethylcarbamate
IUPAC
tert-butyl N-[(1S)-1-[5-(trifluoromethyl)-1H-imidazol-2-yl]ethyl]carbamate

Names & synonyms

(S)-tert-butyl 1-(5-(trifluoromethyl)-1H-imidazol-2-yl)ethylcarbamateSCHEMBL14738417DTXSID701117116tert-Butyl {(1S)-1-[5-(trifluoromethyl)-1H-imidazol-2-yl]ethyl}carbamate[(S)-1-(5-trifluoromethyl-1H-imidazol-2-yl)-ethyl]-carbamic acid tert-butyl ester1426424-85-2Carbamic acid, N-[(1S)-1-[5-(trifluoromethyl)-1H-imidazol-2-yl]ethyl]-, 1,1-dimethylethyl ester

Database identifiers

CAS
1426424-85-2
PubChem CID
71280415
DTXSID
DTXSID701117116

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
67 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
19

Related reactions

2 records
New reaction record

Compound notes

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