(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl trans-2-(3,4-difluorophenyl)cyclopropanecarboxylate

HCID 9859000

Basic information

Standard SMILES
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1
InChIKey
SCHLPHPIGQOKEA-SNOASFMESA-N
Molecular formula
C20H26F2O2
Average molar mass
336.4 g/mol
Monoisotopic mass
336.19008639

Names & identifiers

Preferred name
(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl trans-2-(3,4-difluorophenyl)cyclopropanecarboxylate
IUPAC
trans-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (1R,2R)-2-(3,4-difluorophenyl)cyclopropane-1-carboxylate

Names & synonyms

SCHEMBL814130SCHLPHPIGQOKEA-SNOASFMESA-N(1R, 2S, 5R)-2-isopropyl-5-methylcyclohexyl trans-2-(3,4-difluorophenyl)cyclopropanecarboxylate(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl trans-2-(3,4-difiuorophenyl)cyclopropanecarboxylate(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl trans-2-(3,4-difluorophenyl)cyclopropanecarboxylate

Database identifiers

PubChem CID
9859000

Properties

Computed structural properties

XLogP
5.6
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
24

Related reactions

3 records

Compound notes

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