1-cyclohexyl-3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one

C18H22F3NO — CID 11515351

IUPAC1-cyclohexyl-3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one
SMILESO=C1C(Cc2ccc(C(F)(F)F)cc2)CCN1C1CCCCC1
InChIInChI=1S/C18H22F3NO/c19-18(20,21)15-8-6-13(7-9-15)12-14-10-11-22(17(14)23)16-4-2-1-3-5-16/h6-9,14,16H,1-5,10-12H2
InChIKeyJAPJZGICUFFFCX-UHFFFAOYSA-N
MW325.37 g/mol
LogP4.43
Rot. Bonds3

About 1-cyclohexyl-3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one

1-cyclohexyl-3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one (PubChem CID 11515351) has the molecular formula C18H22F3NO and a molecular weight of 325.37 g/mol. Its IUPAC name is 1-cyclohexyl-3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-cyclohexyl-3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one
PubChem CID11515351
Molecular FormulaC18H22F3NO
Molecular Weight325.37 g/mol
Exact Mass325.17
IUPAC Name1-cyclohexyl-3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one
SMILESO=C1C(Cc2ccc(C(F)(F)F)cc2)CCN1C1CCCCC1
InChIInChI=1S/C18H22F3NO/c19-18(20,21)15-8-6-13(7-9-15)12-14-10-11-22(17(14)23)16-4-2-1-3-5-16/h6-9,14,16H,1-5,10-12H2
InChIKeyJAPJZGICUFFFCX-UHFFFAOYSA-N
XLogP4.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-cyclohexyl-3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one (CID 11515351) is 1-cyclohexyl-3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-cyclohexyl-3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-cyclohexyl-3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one is O=C1C(Cc2ccc(C(F)(F)F)cc2)CCN1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one?
The InChIKey is JAPJZGICUFFFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3NO/c19-18(20,21)15-8-6-13(7-9-15)12-14-10-11-22(17(14)23)16-4-2-1-3-5-16/h6-9,14,16H,1-5,10-12H2.
What are the key properties of 1-cyclohexyl-3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one?
1-cyclohexyl-3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one has a molecular weight of 325.37 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 11515351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).