3-(1,1-difluoro-2-methylpropan-2-yl)-1H-pyridin-2-one

C9H11F2NO — CID 167460173

IUPAC3-(1,1-difluoro-2-methylpropan-2-yl)-1H-pyridin-2-one
SMILESCC(C)(c1ccc[nH]c1=O)C(F)F
InChIInChI=1S/C9H11F2NO/c1-9(2,8(10)11)6-4-3-5-12-7(6)13/h3-5,8H,1-2H3,(H,12,13)
InChIKeyYFACAAVGRUPDPT-UHFFFAOYSA-N
MW187.19 g/mol
LogP1.92
Rot. Bonds2

About 3-(1,1-difluoro-2-methylpropan-2-yl)-1H-pyridin-2-one

3-(1,1-difluoro-2-methylpropan-2-yl)-1H-pyridin-2-one (PubChem CID 167460173) has the molecular formula C9H11F2NO and a molecular weight of 187.19 g/mol. Its IUPAC name is 3-(1,1-difluoro-2-methylpropan-2-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(1,1-difluoro-2-methylpropan-2-yl)-1H-pyridin-2-one
PubChem CID167460173
Molecular FormulaC9H11F2NO
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name3-(1,1-difluoro-2-methylpropan-2-yl)-1H-pyridin-2-one
SMILESCC(C)(c1ccc[nH]c1=O)C(F)F
InChIInChI=1S/C9H11F2NO/c1-9(2,8(10)11)6-4-3-5-12-7(6)13/h3-5,8H,1-2H3,(H,12,13)
InChIKeyYFACAAVGRUPDPT-UHFFFAOYSA-N
XLogP1.92
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 12354337
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CID 102291873
3-Isopropylpyridin-2(1H)-one
CID 20605553
3-(Prop-2-en-1-yl)pyridin-2(1H)-one
CID 21941169
3-Ethyl-4-methyl-2(1H)-pyridinone
CID 68038034
Butenylpyridinone
CID 91431881
trans-Propenyl-pyridone
CID 91565194
Isobutenyl-pyridone
CID 129694189
3-Methyl-5-(trifluoromethyl)pyridin-2(1H)-one
CID 23049003
5-Methyl-3-(trifluoromethyl)pyridin-2-ol
CID 59420216
3,5-dimethyl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 67612989

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoro-2-methylpropan-2-yl)-1H-pyridin-2-one?
The IUPAC name of 3-(1,1-difluoro-2-methylpropan-2-yl)-1H-pyridin-2-one (CID 167460173) is 3-(1,1-difluoro-2-methylpropan-2-yl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(1,1-difluoro-2-methylpropan-2-yl)-1H-pyridin-2-one?
The canonical SMILES for 3-(1,1-difluoro-2-methylpropan-2-yl)-1H-pyridin-2-one is CC(C)(c1ccc[nH]c1=O)C(F)F.
What is the InChIKey of 3-(1,1-difluoro-2-methylpropan-2-yl)-1H-pyridin-2-one?
The InChIKey is YFACAAVGRUPDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO/c1-9(2,8(10)11)6-4-3-5-12-7(6)13/h3-5,8H,1-2H3,(H,12,13).
What are the key properties of 3-(1,1-difluoro-2-methylpropan-2-yl)-1H-pyridin-2-one?
3-(1,1-difluoro-2-methylpropan-2-yl)-1H-pyridin-2-one has a molecular weight of 187.19 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoro-2-methylpropan-2-yl)-1H-pyridin-2-one is sourced from PubChem (CID 167460173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).