4-(difluoromethyl)-5-methyl-6-(trifluoromethyl)-1H-pyridin-2-one

C8H6F5NO — CID 118801577

IUPAC4-(difluoromethyl)-5-methyl-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESCc1c(C(F)F)cc(=O)[nH]c1C(F)(F)F
InChIInChI=1S/C8H6F5NO/c1-3-4(7(9)10)2-5(15)14-6(3)8(11,12)13/h2,7H,1H3,(H,14,15)
InChIKeyLWFHLEWPKCNWAI-UHFFFAOYSA-N
MW227.13 g/mol
LogP2.64
Rot. Bonds1

About 4-(difluoromethyl)-5-methyl-6-(trifluoromethyl)-1H-pyridin-2-one

4-(difluoromethyl)-5-methyl-6-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 118801577) has the molecular formula C8H6F5NO and a molecular weight of 227.13 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-methyl-6-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(difluoromethyl)-5-methyl-6-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID118801577
Molecular FormulaC8H6F5NO
Molecular Weight227.13 g/mol
Exact Mass227.04
IUPAC Name4-(difluoromethyl)-5-methyl-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESCc1c(C(F)F)cc(=O)[nH]c1C(F)(F)F
InChIInChI=1S/C8H6F5NO/c1-3-4(7(9)10)2-5(15)14-6(3)8(11,12)13/h2,7H,1H3,(H,14,15)
InChIKeyLWFHLEWPKCNWAI-UHFFFAOYSA-N
XLogP2.64
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.13
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-methyl-6-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 4-(difluoromethyl)-5-methyl-6-(trifluoromethyl)-1H-pyridin-2-one (CID 118801577) is 4-(difluoromethyl)-5-methyl-6-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-(difluoromethyl)-5-methyl-6-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 4-(difluoromethyl)-5-methyl-6-(trifluoromethyl)-1H-pyridin-2-one is Cc1c(C(F)F)cc(=O)[nH]c1C(F)(F)F.
What is the InChIKey of 4-(difluoromethyl)-5-methyl-6-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is LWFHLEWPKCNWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F5NO/c1-3-4(7(9)10)2-5(15)14-6(3)8(11,12)13/h2,7H,1H3,(H,14,15).
What are the key properties of 4-(difluoromethyl)-5-methyl-6-(trifluoromethyl)-1H-pyridin-2-one?
4-(difluoromethyl)-5-methyl-6-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 227.13 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-5-methyl-6-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 118801577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).