2-(difluoromethyl)-1,6-dimethylpyridin-4-one

C8H9F2NO — CID 151980190

IUPAC2-(difluoromethyl)-1,6-dimethylpyridin-4-one
SMILESCc1cc(=O)cc(C(F)F)n1C
InChIInChI=1S/C8H9F2NO/c1-5-3-6(12)4-7(8(9)10)11(5)2/h3-4,8H,1-2H3
InChIKeyUCMXJPKKHQRRQH-UHFFFAOYSA-N
MW173.16 g/mol
LogP1.63
Rot. Bonds1

About 2-(difluoromethyl)-1,6-dimethylpyridin-4-one

2-(difluoromethyl)-1,6-dimethylpyridin-4-one (PubChem CID 151980190) has the molecular formula C8H9F2NO and a molecular weight of 173.16 g/mol. Its IUPAC name is 2-(difluoromethyl)-1,6-dimethylpyridin-4-one.

Molecular Properties

Compound Name2-(difluoromethyl)-1,6-dimethylpyridin-4-one
PubChem CID151980190
Molecular FormulaC8H9F2NO
Molecular Weight173.16 g/mol
Exact Mass173.07
IUPAC Name2-(difluoromethyl)-1,6-dimethylpyridin-4-one
SMILESCc1cc(=O)cc(C(F)F)n1C
InChIInChI=1S/C8H9F2NO/c1-5-3-6(12)4-7(8(9)10)11(5)2/h3-4,8H,1-2H3
InChIKeyUCMXJPKKHQRRQH-UHFFFAOYSA-N
XLogP1.63
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.16
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,6-Trimethyl-4(1H)-pyridinone
CID 292248
(e)-4-(Butylmethylamino)-1,1,1-trifluoro-3-penten-2-one
CID 129706853
(e)-4-Dibutylamino-1,1,1-trifluoro-3-penten-2-one
CID 129706979
4-(Dimethylamino)-3-penten-2-one
CID 574522
3-Penten-2-one, 4-(dimethylamino)-
CID 5370332
(E)-1,1,1-trifluoro-4-[propyl(prop-2-ynyl)amino]hex-3-en-2-one
CID 71560827
(e)-1,1,1-Trifluoro-4-[propyl(2-propynyl)amino]-3-penten-2-one
CID 129767339
(Z)-4-(dimethylamino)pent-3-en-2-one
CID 11170978
4-(Diethylamino)pent-3-en-2-one
CID 54152898
1-Ethyl-2,6-dimethylpyridin-4-one
CID 86005798
(Z)-4-(diethylamino)pent-3-en-2-one
CID 88632597
2-(Difluoromethyl)-3-hydroxy-1,6-dimethylpyridin-4-one
CID 25018651

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-1,6-dimethylpyridin-4-one?
The IUPAC name of 2-(difluoromethyl)-1,6-dimethylpyridin-4-one (CID 151980190) is 2-(difluoromethyl)-1,6-dimethylpyridin-4-one.
What is the SMILES notation for 2-(difluoromethyl)-1,6-dimethylpyridin-4-one?
The canonical SMILES for 2-(difluoromethyl)-1,6-dimethylpyridin-4-one is Cc1cc(=O)cc(C(F)F)n1C.
What is the InChIKey of 2-(difluoromethyl)-1,6-dimethylpyridin-4-one?
The InChIKey is UCMXJPKKHQRRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO/c1-5-3-6(12)4-7(8(9)10)11(5)2/h3-4,8H,1-2H3.
What are the key properties of 2-(difluoromethyl)-1,6-dimethylpyridin-4-one?
2-(difluoromethyl)-1,6-dimethylpyridin-4-one has a molecular weight of 173.16 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-1,6-dimethylpyridin-4-one is sourced from PubChem (CID 151980190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).