4-(difluoromethyl)-5-propan-2-yl-1H-pyridin-2-one

C9H11F2NO — CID 138551285

IUPAC4-(difluoromethyl)-5-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)c1c[nH]c(=O)cc1C(F)F
InChIInChI=1S/C9H11F2NO/c1-5(2)7-4-12-8(13)3-6(7)9(10)11/h3-5,9H,1-2H3,(H,12,13)
InChIKeyGOUMXVUSHTZYKH-UHFFFAOYSA-N
MW187.19 g/mol
LogP2.44
Rot. Bonds2

About 4-(difluoromethyl)-5-propan-2-yl-1H-pyridin-2-one

4-(difluoromethyl)-5-propan-2-yl-1H-pyridin-2-one (PubChem CID 138551285) has the molecular formula C9H11F2NO and a molecular weight of 187.19 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-propan-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(difluoromethyl)-5-propan-2-yl-1H-pyridin-2-one
PubChem CID138551285
Molecular FormulaC9H11F2NO
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name4-(difluoromethyl)-5-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)c1c[nH]c(=O)cc1C(F)F
InChIInChI=1S/C9H11F2NO/c1-5(2)7-4-12-8(13)3-6(7)9(10)11/h3-5,9H,1-2H3,(H,12,13)
InChIKeyGOUMXVUSHTZYKH-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-Propylpyridone
CID 45787940
2(1H)-Pyridinone, 5-methyl-4-(trifluoromethyl)-
CID 19739586
5-fluoro-4-propan-2-yl-1H-pyridin-2-one
CID 58333456
5-(Trifluoromethyl)isoquinolin-3-ol
CID 67520601
8-Fluoro-5-methylisoquinolin-3-ol
CID 67520712
8-(Trifluoromethyl)isoquinolin-3-ol
CID 67520913
6,8-difluoro-2H-isoquinolin-3-one
CID 67520942
7-(Trifluoromethyl)isoquinolin-3-ol
CID 67521011
6-(Trifluoromethyl)isoquinolin-3-ol
CID 67521250
3,5-dimethyl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 67612989
5-tert-butyl-3-(trifluoromethyl)-1H-pyridin-2-one
CID 68061654
5-propan-2-yl-3-(trifluoromethyl)-1H-pyridin-2-one
CID 70811435

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-propan-2-yl-1H-pyridin-2-one?
The IUPAC name of 4-(difluoromethyl)-5-propan-2-yl-1H-pyridin-2-one (CID 138551285) is 4-(difluoromethyl)-5-propan-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 4-(difluoromethyl)-5-propan-2-yl-1H-pyridin-2-one?
The canonical SMILES for 4-(difluoromethyl)-5-propan-2-yl-1H-pyridin-2-one is CC(C)c1c[nH]c(=O)cc1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-5-propan-2-yl-1H-pyridin-2-one?
The InChIKey is GOUMXVUSHTZYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO/c1-5(2)7-4-12-8(13)3-6(7)9(10)11/h3-5,9H,1-2H3,(H,12,13).
What are the key properties of 4-(difluoromethyl)-5-propan-2-yl-1H-pyridin-2-one?
4-(difluoromethyl)-5-propan-2-yl-1H-pyridin-2-one has a molecular weight of 187.19 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-5-propan-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 138551285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).