6-(1,1-difluoroethyl)-1H-pyridin-2-one

C7H7F2NO — CID 84764065

IUPAC6-(1,1-difluoroethyl)-1H-pyridin-2-one
SMILESCC(F)(F)c1cccc(=O)[nH]1
InChIInChI=1S/C7H7F2NO/c1-7(8,9)5-3-2-4-6(11)10-5/h2-4H,1H3,(H,10,11)
InChIKeyQYVTYMMQHWKVKW-UHFFFAOYSA-N
MW159.13 g/mol
LogP1.49
Rot. Bonds1

About 6-(1,1-difluoroethyl)-1H-pyridin-2-one

6-(1,1-difluoroethyl)-1H-pyridin-2-one (PubChem CID 84764065) has the molecular formula C7H7F2NO and a molecular weight of 159.13 g/mol. Its IUPAC name is 6-(1,1-difluoroethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(1,1-difluoroethyl)-1H-pyridin-2-one
PubChem CID84764065
Molecular FormulaC7H7F2NO
Molecular Weight159.13 g/mol
Exact Mass159.05
IUPAC Name6-(1,1-difluoroethyl)-1H-pyridin-2-one
SMILESCC(F)(F)c1cccc(=O)[nH]1
InChIInChI=1S/C7H7F2NO/c1-7(8,9)5-3-2-4-6(11)10-5/h2-4H,1H3,(H,10,11)
InChIKeyQYVTYMMQHWKVKW-UHFFFAOYSA-N
XLogP1.49
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.13
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2(1H)-Pyridinone, 6-(trifluoromethyl)-
CID 10154195
6-Methyl-4-(trifluoromethyl)pyridin-2(1H)-one
CID 2782992
1H-Pyridin-2-one, 6-ethyl-
CID 182320
6-Isopropylpyridin-2(1H)-one
CID 12354335
6-(tert-Butyl)pyridin-2(1H)-one
CID 13494636
Methylene-6-pyridone
CID 91287573
4-Methyl-6-(trifluoromethyl)pyridin-2(1H)-one
CID 10035141
4-methyl-6-(1,1,2,2,2-pentafluoroethyl)-1H-pyridin-2-one
CID 10105131
6-(Difluoromethyl)pyridin-2(1H)-one
CID 10441812
4,6-Bis(trifluoromethyl)pyridin-2(1H)-one
CID 13148079
3,6-dimethyl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 15210459
5,6-dimethyl-3-(trifluoromethyl)-1H-pyridin-2-one
CID 18723546

Frequently Asked Questions

What is the IUPAC name of 6-(1,1-difluoroethyl)-1H-pyridin-2-one?
The IUPAC name of 6-(1,1-difluoroethyl)-1H-pyridin-2-one (CID 84764065) is 6-(1,1-difluoroethyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-(1,1-difluoroethyl)-1H-pyridin-2-one?
The canonical SMILES for 6-(1,1-difluoroethyl)-1H-pyridin-2-one is CC(F)(F)c1cccc(=O)[nH]1.
What is the InChIKey of 6-(1,1-difluoroethyl)-1H-pyridin-2-one?
The InChIKey is QYVTYMMQHWKVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NO/c1-7(8,9)5-3-2-4-6(11)10-5/h2-4H,1H3,(H,10,11).
What are the key properties of 6-(1,1-difluoroethyl)-1H-pyridin-2-one?
6-(1,1-difluoroethyl)-1H-pyridin-2-one has a molecular weight of 159.13 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-difluoroethyl)-1H-pyridin-2-one is sourced from PubChem (CID 84764065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).