ethane;4-methyl-6-(trifluoromethyl)-1H-pyridin-2-one

C9H12F3NO — CID 166548467

IUPACethane;4-methyl-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESCC.Cc1cc(C(F)(F)F)[nH]c(=O)c1
InChIInChI=1S/C7H6F3NO.C2H6/c1-4-2-5(7(8,9)10)11-6(12)3-4;1-2/h2-3H,1H3,(H,11,12);1-2H3
InChIKeyUHXYTDVWCRYOKM-UHFFFAOYSA-N
MW207.19 g/mol
LogP2.73
Rot. Bonds

About ethane;4-methyl-6-(trifluoromethyl)-1H-pyridin-2-one

ethane;4-methyl-6-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 166548467) has the molecular formula C9H12F3NO and a molecular weight of 207.19 g/mol. Its IUPAC name is ethane;4-methyl-6-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Nameethane;4-methyl-6-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID166548467
Molecular FormulaC9H12F3NO
Molecular Weight207.19 g/mol
Exact Mass207.09
IUPAC Nameethane;4-methyl-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESCC.Cc1cc(C(F)(F)F)[nH]c(=O)c1
InChIInChI=1S/C7H6F3NO.C2H6/c1-4-2-5(7(8,9)10)11-6(12)3-4;1-2/h2-3H,1H3,(H,11,12);1-2H3
InChIKeyUHXYTDVWCRYOKM-UHFFFAOYSA-N
XLogP2.73
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-6-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of ethane;4-methyl-6-(trifluoromethyl)-1H-pyridin-2-one (CID 166548467) is ethane;4-methyl-6-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for ethane;4-methyl-6-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for ethane;4-methyl-6-(trifluoromethyl)-1H-pyridin-2-one is CC.Cc1cc(C(F)(F)F)[nH]c(=O)c1.
What is the InChIKey of ethane;4-methyl-6-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is UHXYTDVWCRYOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO.C2H6/c1-4-2-5(7(8,9)10)11-6(12)3-4;1-2/h2-3H,1H3,(H,11,12);1-2H3.
What are the key properties of ethane;4-methyl-6-(trifluoromethyl)-1H-pyridin-2-one?
ethane;4-methyl-6-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 207.19 g/mol, XLogP of 2.73, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-6-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 166548467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).