4-(2,4-difluorophenyl)-4-methyl-5-(2-methylpropyl)pyrrolidin-2-one

C15H19F2NO — CID 66107446

IUPAC4-(2,4-difluorophenyl)-4-methyl-5-(2-methylpropyl)pyrrolidin-2-one
SMILESCC(C)CC1NC(=O)CC1(C)c1ccc(F)cc1F
InChIInChI=1S/C15H19F2NO/c1-9(2)6-13-15(3,8-14(19)18-13)11-5-4-10(16)7-12(11)17/h4-5,7,9,13H,6,8H2,1-3H3,(H,18,19)
InChIKeyGULCNJKXEWTLPL-UHFFFAOYSA-N
MW267.32 g/mol
LogP3.16
Rot. Bonds3

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

4-(2,4-difluorophenyl)-4-methyl-5-(2-methylpropyl)pyrrolidin-2-one (PubChem CID 66107446) has the molecular formula C15H19F2NO and a molecular weight of 267.32 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-4-methyl-5-(2-methylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-4-methyl-5-(2-methylpropyl)pyrrolidin-2-one
PubChem CID66107446
Molecular FormulaC15H19F2NO
Molecular Weight267.32 g/mol
Exact Mass267.14
IUPAC Name4-(2,4-difluorophenyl)-4-methyl-5-(2-methylpropyl)pyrrolidin-2-one
SMILESCC(C)CC1NC(=O)CC1(C)c1ccc(F)cc1F
InChIInChI=1S/C15H19F2NO/c1-9(2)6-13-15(3,8-14(19)18-13)11-5-4-10(16)7-12(11)17/h4-5,7,9,13H,6,8H2,1-3H3,(H,18,19)
InChIKeyGULCNJKXEWTLPL-UHFFFAOYSA-N
XLogP3.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-4-methyl-5-(2-methylpropyl)pyrrolidin-2-one?
The IUPAC name of 4-(2,4-difluorophenyl)-4-methyl-5-(2-methylpropyl)pyrrolidin-2-one (CID 66107446) is 4-(2,4-difluorophenyl)-4-methyl-5-(2-methylpropyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(2,4-difluorophenyl)-4-methyl-5-(2-methylpropyl)pyrrolidin-2-one?
The canonical SMILES for 4-(2,4-difluorophenyl)-4-methyl-5-(2-methylpropyl)pyrrolidin-2-one is CC(C)CC1NC(=O)CC1(C)c1ccc(F)cc1F.
What is the InChIKey of 4-(2,4-difluorophenyl)-4-methyl-5-(2-methylpropyl)pyrrolidin-2-one?
The InChIKey is GULCNJKXEWTLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO/c1-9(2)6-13-15(3,8-14(19)18-13)11-5-4-10(16)7-12(11)17/h4-5,7,9,13H,6,8H2,1-3H3,(H,18,19).
What are the key properties of 4-(2,4-difluorophenyl)-4-methyl-5-(2-methylpropyl)pyrrolidin-2-one?
4-(2,4-difluorophenyl)-4-methyl-5-(2-methylpropyl)pyrrolidin-2-one has a molecular weight of 267.32 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-4-methyl-5-(2-methylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 66107446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).