1-(2,2-difluoroethyl)pyridin-4-one

C7H7F2NO — CID 116622370

IUPAC1-(2,2-difluoroethyl)pyridin-4-one
SMILESO=c1ccn(CC(F)F)cc1
InChIInChI=1S/C7H7F2NO/c8-7(9)5-10-3-1-6(11)2-4-10/h1-4,7H,5H2
InChIKeyACFQYCCFJFNAQN-UHFFFAOYSA-N
MW159.13 g/mol
LogP1.11
Rot. Bonds2

About 1-(2,2-difluoroethyl)pyridin-4-one

1-(2,2-difluoroethyl)pyridin-4-one (PubChem CID 116622370) has the molecular formula C7H7F2NO and a molecular weight of 159.13 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)pyridin-4-one.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)pyridin-4-one
PubChem CID116622370
Molecular FormulaC7H7F2NO
Molecular Weight159.13 g/mol
Exact Mass159.05
IUPAC Name1-(2,2-difluoroethyl)pyridin-4-one
SMILESO=c1ccn(CC(F)F)cc1
InChIInChI=1S/C7H7F2NO/c8-7(9)5-10-3-1-6(11)2-4-10/h1-4,7H,5H2
InChIKeyACFQYCCFJFNAQN-UHFFFAOYSA-N
XLogP1.11
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.13
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3E)-4-(dimethylamino)-1,1,1-trifluorobut-3-en-2-one
CID 2063589
N-Methyl-4-pyridone
CID 136515
(3E)-4-(dimethylamino)-1,1,1-trifluoro-3-buten-2-one
CID 2779437
4-Diethylamino-1,1,1-trifluorobut-3-en-2-one
CID 5702851
1-Vinyl-4-pyridone
CID 13695371
1-ethylpyridin-4(1H)-one
CID 53989259
3-Bromo-1-(difluoromethyl)-1,4-dihydropyridin-4-one
CID 165946886
(3Z)-4-(dimethylamino)-1,1,1-trifluorobut-3-en-2-one
CID 2303874
4-(Diethylamino)-1,1,1-trifluorobut-3-en-2-one
CID 2736882
1-(2-Fluoroethyl)-4-pyridone
CID 14651887
1-(2,2,2-Trifluoroethyl)pyridin-4(1H)-one
CID 21285111
3-hydroxy-1-(2,2,2-trifluoroethyl)pyridin-4(1H)-one
CID 49869748

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)pyridin-4-one?
The IUPAC name of 1-(2,2-difluoroethyl)pyridin-4-one (CID 116622370) is 1-(2,2-difluoroethyl)pyridin-4-one.
What is the SMILES notation for 1-(2,2-difluoroethyl)pyridin-4-one?
The canonical SMILES for 1-(2,2-difluoroethyl)pyridin-4-one is O=c1ccn(CC(F)F)cc1.
What is the InChIKey of 1-(2,2-difluoroethyl)pyridin-4-one?
The InChIKey is ACFQYCCFJFNAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NO/c8-7(9)5-10-3-1-6(11)2-4-10/h1-4,7H,5H2.
What are the key properties of 1-(2,2-difluoroethyl)pyridin-4-one?
1-(2,2-difluoroethyl)pyridin-4-one has a molecular weight of 159.13 g/mol, XLogP of 1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)pyridin-4-one is sourced from PubChem (CID 116622370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).