1-(3,4-difluorophenyl)-5-(2-methylpropyl)pyrrolidin-2-one

C14H17F2NO — CID 90898772

IUPAC1-(3,4-difluorophenyl)-5-(2-methylpropyl)pyrrolidin-2-one
SMILESCC(C)CC1CCC(=O)N1c1ccc(F)c(F)c1
InChIInChI=1S/C14H17F2NO/c1-9(2)7-10-4-6-14(18)17(10)11-3-5-12(15)13(16)8-11/h3,5,8-10H,4,6-7H2,1-2H3
InChIKeyJPHWGBLVBUSNHT-UHFFFAOYSA-N
MW253.29 g/mol
LogP3.51
Rot. Bonds3

About 1-(3,4-difluorophenyl)-5-(2-methylpropyl)pyrrolidin-2-one

1-(3,4-difluorophenyl)-5-(2-methylpropyl)pyrrolidin-2-one (PubChem CID 90898772) has the molecular formula C14H17F2NO and a molecular weight of 253.29 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-5-(2-methylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-5-(2-methylpropyl)pyrrolidin-2-one
PubChem CID90898772
Molecular FormulaC14H17F2NO
Molecular Weight253.29 g/mol
Exact Mass253.13
IUPAC Name1-(3,4-difluorophenyl)-5-(2-methylpropyl)pyrrolidin-2-one
SMILESCC(C)CC1CCC(=O)N1c1ccc(F)c(F)c1
InChIInChI=1S/C14H17F2NO/c1-9(2)7-10-4-6-14(18)17(10)11-3-5-12(15)13(16)8-11/h3,5,8-10H,4,6-7H2,1-2H3
InChIKeyJPHWGBLVBUSNHT-UHFFFAOYSA-N
XLogP3.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-5-(2-methylpropyl)pyrrolidin-2-one?
The IUPAC name of 1-(3,4-difluorophenyl)-5-(2-methylpropyl)pyrrolidin-2-one (CID 90898772) is 1-(3,4-difluorophenyl)-5-(2-methylpropyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(3,4-difluorophenyl)-5-(2-methylpropyl)pyrrolidin-2-one?
The canonical SMILES for 1-(3,4-difluorophenyl)-5-(2-methylpropyl)pyrrolidin-2-one is CC(C)CC1CCC(=O)N1c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-5-(2-methylpropyl)pyrrolidin-2-one?
The InChIKey is JPHWGBLVBUSNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO/c1-9(2)7-10-4-6-14(18)17(10)11-3-5-12(15)13(16)8-11/h3,5,8-10H,4,6-7H2,1-2H3.
What are the key properties of 1-(3,4-difluorophenyl)-5-(2-methylpropyl)pyrrolidin-2-one?
1-(3,4-difluorophenyl)-5-(2-methylpropyl)pyrrolidin-2-one has a molecular weight of 253.29 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-5-(2-methylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 90898772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).