3-methyl-1-(2,2,2-trifluoroethoxymethyl)pyridin-2-one

C9H10F3NO2 — CID 106706324

IUPAC3-methyl-1-(2,2,2-trifluoroethoxymethyl)pyridin-2-one
SMILESCc1cccn(COCC(F)(F)F)c1=O
InChIInChI=1S/C9H10F3NO2/c1-7-3-2-4-13(8(7)14)6-15-5-9(10,11)12/h2-4H,5-6H2,1H3
InChIKeyWXMDHSFGLSGFHU-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.69
Rot. Bonds3

About 3-methyl-1-(2,2,2-trifluoroethoxymethyl)pyridin-2-one

3-methyl-1-(2,2,2-trifluoroethoxymethyl)pyridin-2-one (PubChem CID 106706324) has the molecular formula C9H10F3NO2 and a molecular weight of 221.18 g/mol. Its IUPAC name is 3-methyl-1-(2,2,2-trifluoroethoxymethyl)pyridin-2-one.

Molecular Properties

Compound Name3-methyl-1-(2,2,2-trifluoroethoxymethyl)pyridin-2-one
PubChem CID106706324
Molecular FormulaC9H10F3NO2
Molecular Weight221.18 g/mol
Exact Mass221.07
IUPAC Name3-methyl-1-(2,2,2-trifluoroethoxymethyl)pyridin-2-one
SMILESCc1cccn(COCC(F)(F)F)c1=O
InChIInChI=1S/C9H10F3NO2/c1-7-3-2-4-13(8(7)14)6-15-5-9(10,11)12/h2-4H,5-6H2,1H3
InChIKeyWXMDHSFGLSGFHU-UHFFFAOYSA-N
XLogP1.69
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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3-Methyl-1-(2,2,2-trifluoroethyl)pyridin-2(1H)-one
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1-(Difluoromethyl)-3-methylpyridin-2(1H)-one
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3-[2-Oxo-3-(trifluoromethyl)-1-pyridinyl]propanal
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1-Propyl-3-(trifluoromethyl)pyridin-2-one
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Methyl 2-oxo-3-(trifluoromethyl)pyridine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2,2,2-trifluoroethoxymethyl)pyridin-2-one?
The IUPAC name of 3-methyl-1-(2,2,2-trifluoroethoxymethyl)pyridin-2-one (CID 106706324) is 3-methyl-1-(2,2,2-trifluoroethoxymethyl)pyridin-2-one.
What is the SMILES notation for 3-methyl-1-(2,2,2-trifluoroethoxymethyl)pyridin-2-one?
The canonical SMILES for 3-methyl-1-(2,2,2-trifluoroethoxymethyl)pyridin-2-one is Cc1cccn(COCC(F)(F)F)c1=O.
What is the InChIKey of 3-methyl-1-(2,2,2-trifluoroethoxymethyl)pyridin-2-one?
The InChIKey is WXMDHSFGLSGFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO2/c1-7-3-2-4-13(8(7)14)6-15-5-9(10,11)12/h2-4H,5-6H2,1H3.
What are the key properties of 3-methyl-1-(2,2,2-trifluoroethoxymethyl)pyridin-2-one?
3-methyl-1-(2,2,2-trifluoroethoxymethyl)pyridin-2-one has a molecular weight of 221.18 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2,2,2-trifluoroethoxymethyl)pyridin-2-one is sourced from PubChem (CID 106706324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).