Methyl 2-(3-cyclohexyl-1,1,1-trifluoro-3-nitropropan-2-ylamino)-3,3-dimethylbutanoate

HCID 66704841
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)C(NC(C(C1CCCCC1)[N+](=O)[O-])C(F)(F)F)C(C)(C)C
InChIKey
YJRLTBGFDLRLHF-UHFFFAOYSA-N
Molecular formula
C16H27F3N2O4
Average molar mass
368.39 g/mol
Monoisotopic mass
368.19229183

Names & identifiers

Preferred name
Methyl 2-(3-cyclohexyl-1,1,1-trifluoro-3-nitropropan-2-ylamino)-3,3-dimethylbutanoate
IUPAC
methyl 2-[(3-cyclohexyl-1,1,1-trifluoro-3-nitropropan-2-yl)amino]-3,3-dimethylbutanoate

Names & synonyms

methyl 2-(3-cyclohexyl-1,1,1-trifluoro-3-nitropropan-2-ylamino)-3,3-dimethylbutanoateSCHEMBL500474

Database identifiers

PubChem CID
66704841

Properties

Computed structural properties

XLogP
4.9
Topological polar surface area
84.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
7
Heavy atoms
25

Related reactions

5 records
New reaction record

Compound notes

Loading…