1,4-dimethyl-6-(trifluoromethyl)pyridin-2-one

C8H8F3NO — CID 22382050

IUPAC1,4-dimethyl-6-(trifluoromethyl)pyridin-2-one
SMILESCc1cc(C(F)(F)F)n(C)c(=O)c1
InChIInChI=1S/C8H8F3NO/c1-5-3-6(8(9,10)11)12(2)7(13)4-5/h3-4H,1-2H3
InChIKeyRZMXFNHHFZDBOV-UHFFFAOYSA-N
MW191.15 g/mol
LogP1.71
Rot. Bonds

About 1,4-dimethyl-6-(trifluoromethyl)pyridin-2-one

1,4-dimethyl-6-(trifluoromethyl)pyridin-2-one (PubChem CID 22382050) has the molecular formula C8H8F3NO and a molecular weight of 191.15 g/mol. Its IUPAC name is 1,4-dimethyl-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1,4-dimethyl-6-(trifluoromethyl)pyridin-2-one
PubChem CID22382050
Molecular FormulaC8H8F3NO
Molecular Weight191.15 g/mol
Exact Mass191.06
IUPAC Name1,4-dimethyl-6-(trifluoromethyl)pyridin-2-one
SMILESCc1cc(C(F)(F)F)n(C)c(=O)c1
InChIInChI=1S/C8H8F3NO/c1-5-3-6(8(9,10)11)12(2)7(13)4-5/h3-4H,1-2H3
InChIKeyRZMXFNHHFZDBOV-UHFFFAOYSA-N
XLogP1.71
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.15
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,6-Dimethyl-2-oxo-4-(trifluoromethyl)-1,2-dihydro-3-pyridinecarbonitrile
CID 1471023
1-(3,3,3-Trifluoro-1-pentafluoroethyl-2-trifluorometh-ylpropenyl)-1h-pyridin-2-one
CID 12726242
1,6-dimethyl-4-(trifluoromethyl)-3H-pyridin-3-id-2-one;iodozinc(1+)
CID 134859364
1,5,6-Trimethyl-2-pyridone
CID 12735847
1-ethyl-4,6-dimethyl-2(1H)-pyridone
CID 21538594
1,6-Dimethyl-4-(trifluoromethyl)pyridin-2(1H)-one
CID 22382014
1,4-Dimethyl-3-iodo-6-(trifluoromethyl)-2-pyridone
CID 22382033
1,6-Dimethyl-3-iodo-4-(trifluoromethyl)-2-pyridone
CID 22382056
1,3-Dimethyl-6-(trifluoromethyl)pyridin-2-one
CID 22890211
4-Fluoro-1,3,6-trimethylpyridin-2-one
CID 22890216
3-Fluoro-5-methyl-1-propan-2-ylpyridin-2-one
CID 57640466
1-Ethyl-5-(trifluoromethyl)pyridin-2-one
CID 58147747

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1,4-dimethyl-6-(trifluoromethyl)pyridin-2-one (CID 22382050) is 1,4-dimethyl-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1,4-dimethyl-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1,4-dimethyl-6-(trifluoromethyl)pyridin-2-one is Cc1cc(C(F)(F)F)n(C)c(=O)c1.
What is the InChIKey of 1,4-dimethyl-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is RZMXFNHHFZDBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO/c1-5-3-6(8(9,10)11)12(2)7(13)4-5/h3-4H,1-2H3.
What are the key properties of 1,4-dimethyl-6-(trifluoromethyl)pyridin-2-one?
1,4-dimethyl-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 191.15 g/mol, XLogP of 1.71, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 22382050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).