1-(2,2-dimethoxyethyl)-6-(trifluoromethyl)pyridin-2-one

C10H12F3NO3 — CID 81319773

IUPAC1-(2,2-dimethoxyethyl)-6-(trifluoromethyl)pyridin-2-one
SMILESCOC(Cn1c(C(F)(F)F)cccc1=O)OC
InChIInChI=1S/C10H12F3NO3/c1-16-9(17-2)6-14-7(10(11,12)13)4-3-5-8(14)15/h3-5,9H,6H2,1-2H3
InChIKeyKNFWJKRBUOPDDC-UHFFFAOYSA-N
MW251.20 g/mol
LogP1.49
Rot. Bonds4

About 1-(2,2-dimethoxyethyl)-6-(trifluoromethyl)pyridin-2-one

1-(2,2-dimethoxyethyl)-6-(trifluoromethyl)pyridin-2-one (PubChem CID 81319773) has the molecular formula C10H12F3NO3 and a molecular weight of 251.20 g/mol. Its IUPAC name is 1-(2,2-dimethoxyethyl)-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-(2,2-dimethoxyethyl)-6-(trifluoromethyl)pyridin-2-one
PubChem CID81319773
Molecular FormulaC10H12F3NO3
Molecular Weight251.20 g/mol
Exact Mass251.08
IUPAC Name1-(2,2-dimethoxyethyl)-6-(trifluoromethyl)pyridin-2-one
SMILESCOC(Cn1c(C(F)(F)F)cccc1=O)OC
InChIInChI=1S/C10H12F3NO3/c1-16-9(17-2)6-14-7(10(11,12)13)4-3-5-8(14)15/h3-5,9H,6H2,1-2H3
InChIKeyKNFWJKRBUOPDDC-UHFFFAOYSA-N
XLogP1.49
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.20
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[2-(bromomethyl)pentyl]-6-(trifluoromethyl)pyridin-2-one
CID 81320319
1-(2-oxobutyl)-6-(trifluoromethyl)pyridin-2-one
CID 81319664
1-(2-hydroxy-2-phenylethyl)-6-(trifluoromethyl)pyridin-2-one
CID 81319775
methyl 3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoate
CID 81319393
1-(3-aminopropyl)-6-(trifluoromethyl)pyridin-2-one
CID 81319762
1-(2,2-dimethoxyethyl)-6-oxopyridine-2-carboxamide
CID 174969842
1-(4-aminopentyl)-6-(trifluoromethyl)pyridin-2-one
CID 81319024
1-[2-(bromomethyl)-2-ethylbutyl]-6-(trifluoromethyl)pyridin-2-one
CID 81319271
3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoic acid
CID 81319391
1-(5-sulfanylpentyl)-6-(trifluoromethyl)pyridin-2-one
CID 81319674
1-(6-chlorohexyl)-6-(trifluoromethyl)pyridin-2-one
CID 81318678
1-[2-(5-methylhexan-2-ylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one
CID 81310661

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethoxyethyl)-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-(2,2-dimethoxyethyl)-6-(trifluoromethyl)pyridin-2-one (CID 81319773) is 1-(2,2-dimethoxyethyl)-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-(2,2-dimethoxyethyl)-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-(2,2-dimethoxyethyl)-6-(trifluoromethyl)pyridin-2-one is COC(Cn1c(C(F)(F)F)cccc1=O)OC.
What is the InChIKey of 1-(2,2-dimethoxyethyl)-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is KNFWJKRBUOPDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO3/c1-16-9(17-2)6-14-7(10(11,12)13)4-3-5-8(14)15/h3-5,9H,6H2,1-2H3.
What are the key properties of 1-(2,2-dimethoxyethyl)-6-(trifluoromethyl)pyridin-2-one?
1-(2,2-dimethoxyethyl)-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 251.20 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethoxyethyl)-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 81319773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).