Tert-butyl{(cis)-2-[(2,2,2-trifluoroethyl)carbamoyl]cyclohexyl}carbamate

HCID 97027465
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Basic information

Standard SMILES
CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1C(=O)NCC(F)(F)F
InChIKey
BUXFNNNBTVZOGC-VHSXEESVSA-N
Molecular formula
C14H23F3N2O3
Average molar mass
324.34 g/mol
Monoisotopic mass
324.16607709

Names & identifiers

Preferred name
Tert-butyl{(cis)-2-[(2,2,2-trifluoroethyl)carbamoyl]cyclohexyl}carbamate
IUPAC
tert-butyl N-[(1R,2S)-2-(2,2,2-trifluoroethylcarbamoyl)cyclohexyl]carbamate

Names & synonyms

tert-butyl{(cis)-2-[(2,2,2-trifluoroethyl)carbamoyl]cyclohexyl}carbamatetert-butyl {(cis)-2-[(2,2,2-trifluoroethyl)carbamoyl]cyclohexyl}carbamate

Database identifiers

PubChem CID
97027465

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
67.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
22

Related reactions

2 records
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Compound notes

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