ethane;5-methyl-3-(trifluoromethyl)-1H-pyridin-2-one

C11H18F3NO — CID 145484416

IUPACethane;5-methyl-3-(trifluoromethyl)-1H-pyridin-2-one
SMILESCC.CC.Cc1c[nH]c(=O)c(C(F)(F)F)c1
InChIInChI=1S/C7H6F3NO.2C2H6/c1-4-2-5(7(8,9)10)6(12)11-3-4;2*1-2/h2-3H,1H3,(H,11,12);2*1-2H3
InChIKeyRICYXYWXRIIMBF-UHFFFAOYSA-N
MW237.26 g/mol
LogP3.75
Rot. Bonds

About ethane;5-methyl-3-(trifluoromethyl)-1H-pyridin-2-one

ethane;5-methyl-3-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 145484416) has the molecular formula C11H18F3NO and a molecular weight of 237.26 g/mol. Its IUPAC name is ethane;5-methyl-3-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Nameethane;5-methyl-3-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID145484416
Molecular FormulaC11H18F3NO
Molecular Weight237.26 g/mol
Exact Mass237.13
IUPAC Nameethane;5-methyl-3-(trifluoromethyl)-1H-pyridin-2-one
SMILESCC.CC.Cc1c[nH]c(=O)c(C(F)(F)F)c1
InChIInChI=1S/C7H6F3NO.2C2H6/c1-4-2-5(7(8,9)10)6(12)11-3-4;2*1-2/h2-3H,1H3,(H,11,12);2*1-2H3
InChIKeyRICYXYWXRIIMBF-UHFFFAOYSA-N
XLogP3.75
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-3-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of ethane;5-methyl-3-(trifluoromethyl)-1H-pyridin-2-one (CID 145484416) is ethane;5-methyl-3-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for ethane;5-methyl-3-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for ethane;5-methyl-3-(trifluoromethyl)-1H-pyridin-2-one is CC.CC.Cc1c[nH]c(=O)c(C(F)(F)F)c1.
What is the InChIKey of ethane;5-methyl-3-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is RICYXYWXRIIMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO.2C2H6/c1-4-2-5(7(8,9)10)6(12)11-3-4;2*1-2/h2-3H,1H3,(H,11,12);2*1-2H3.
What are the key properties of ethane;5-methyl-3-(trifluoromethyl)-1H-pyridin-2-one?
ethane;5-methyl-3-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 237.26 g/mol, XLogP of 3.75, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-3-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 145484416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).