1-cyclohexyl-3-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one

C18H22F3NO2 — CID 11602564

IUPAC1-cyclohexyl-3-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one
SMILESO=C1C(Cc2ccccc2OC(F)(F)F)CCN1C1CCCCC1
InChIInChI=1S/C18H22F3NO2/c19-18(20,21)24-16-9-5-4-6-13(16)12-14-10-11-22(17(14)23)15-7-2-1-3-8-15/h4-6,9,14-15H,1-3,7-8,10-12H2
InChIKeyKHCGEAZPHITGOJ-UHFFFAOYSA-N
MW341.37 g/mol
LogP4.31
Rot. Bonds4

About 1-cyclohexyl-3-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one

1-cyclohexyl-3-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one (PubChem CID 11602564) has the molecular formula C18H22F3NO2 and a molecular weight of 341.37 g/mol. Its IUPAC name is 1-cyclohexyl-3-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-cyclohexyl-3-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one
PubChem CID11602564
Molecular FormulaC18H22F3NO2
Molecular Weight341.37 g/mol
Exact Mass341.16
IUPAC Name1-cyclohexyl-3-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one
SMILESO=C1C(Cc2ccccc2OC(F)(F)F)CCN1C1CCCCC1
InChIInChI=1S/C18H22F3NO2/c19-18(20,21)24-16-9-5-4-6-13(16)12-14-10-11-22(17(14)23)15-7-2-1-3-8-15/h4-6,9,14-15H,1-3,7-8,10-12H2
InChIKeyKHCGEAZPHITGOJ-UHFFFAOYSA-N
XLogP4.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-cyclohexyl-3-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one (CID 11602564) is 1-cyclohexyl-3-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-cyclohexyl-3-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-cyclohexyl-3-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one is O=C1C(Cc2ccccc2OC(F)(F)F)CCN1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one?
The InChIKey is KHCGEAZPHITGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3NO2/c19-18(20,21)24-16-9-5-4-6-13(16)12-14-10-11-22(17(14)23)15-7-2-1-3-8-15/h4-6,9,14-15H,1-3,7-8,10-12H2.
What are the key properties of 1-cyclohexyl-3-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one?
1-cyclohexyl-3-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one has a molecular weight of 341.37 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 11602564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).