6-(4,4-difluoro-2-methylpentyl)-4-methyl-1H-pyridin-2-one

C12H17F2NO — CID 167217650

IUPAC6-(4,4-difluoro-2-methylpentyl)-4-methyl-1H-pyridin-2-one
SMILESCc1cc(CC(C)CC(C)(F)F)[nH]c(=O)c1
InChIInChI=1S/C12H17F2NO/c1-8-4-10(15-11(16)6-8)5-9(2)7-12(3,13)14/h4,6,9H,5,7H2,1-3H3,(H,15,16)
InChIKeyNXBPNZOMLQKPAP-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.91
Rot. Bonds4

About 6-(4,4-difluoro-2-methylpentyl)-4-methyl-1H-pyridin-2-one

6-(4,4-difluoro-2-methylpentyl)-4-methyl-1H-pyridin-2-one (PubChem CID 167217650) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is 6-(4,4-difluoro-2-methylpentyl)-4-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(4,4-difluoro-2-methylpentyl)-4-methyl-1H-pyridin-2-one
PubChem CID167217650
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC Name6-(4,4-difluoro-2-methylpentyl)-4-methyl-1H-pyridin-2-one
SMILESCc1cc(CC(C)CC(C)(F)F)[nH]c(=O)c1
InChIInChI=1S/C12H17F2NO/c1-8-4-10(15-11(16)6-8)5-9(2)7-12(3,13)14/h4,6,9H,5,7H2,1-3H3,(H,15,16)
InChIKeyNXBPNZOMLQKPAP-UHFFFAOYSA-N
XLogP2.91
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6-(4,4-difluoro-2-methylpentyl)-4-methyl-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(4,4-difluoro-2-methylpentyl)-4-methyl-1H-pyridin-2-one?
The IUPAC name of 6-(4,4-difluoro-2-methylpentyl)-4-methyl-1H-pyridin-2-one (CID 167217650) is 6-(4,4-difluoro-2-methylpentyl)-4-methyl-1H-pyridin-2-one.
What is the SMILES notation for 6-(4,4-difluoro-2-methylpentyl)-4-methyl-1H-pyridin-2-one?
The canonical SMILES for 6-(4,4-difluoro-2-methylpentyl)-4-methyl-1H-pyridin-2-one is Cc1cc(CC(C)CC(C)(F)F)[nH]c(=O)c1.
What is the InChIKey of 6-(4,4-difluoro-2-methylpentyl)-4-methyl-1H-pyridin-2-one?
The InChIKey is NXBPNZOMLQKPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO/c1-8-4-10(15-11(16)6-8)5-9(2)7-12(3,13)14/h4,6,9H,5,7H2,1-3H3,(H,15,16).
What are the key properties of 6-(4,4-difluoro-2-methylpentyl)-4-methyl-1H-pyridin-2-one?
6-(4,4-difluoro-2-methylpentyl)-4-methyl-1H-pyridin-2-one has a molecular weight of 229.27 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,4-difluoro-2-methylpentyl)-4-methyl-1H-pyridin-2-one is sourced from PubChem (CID 167217650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).