ethane;1-methyl-3-(trifluoromethoxy)pyridin-2-one

C9H12F3NO2 — CID 171801023

IUPACethane;1-methyl-3-(trifluoromethoxy)pyridin-2-one
SMILESCC.Cn1cccc(OC(F)(F)F)c1=O
InChIInChI=1S/C7H6F3NO2.C2H6/c1-11-4-2-3-5(6(11)12)13-7(8,9)10;1-2/h2-4H,1H3;1-2H3
InChIKeyTVRGZIOGUCOPNL-UHFFFAOYSA-N
MW223.19 g/mol
LogP2.31
Rot. Bonds1

About ethane;1-methyl-3-(trifluoromethoxy)pyridin-2-one

ethane;1-methyl-3-(trifluoromethoxy)pyridin-2-one (PubChem CID 171801023) has the molecular formula C9H12F3NO2 and a molecular weight of 223.19 g/mol. Its IUPAC name is ethane;1-methyl-3-(trifluoromethoxy)pyridin-2-one.

Molecular Properties

Compound Nameethane;1-methyl-3-(trifluoromethoxy)pyridin-2-one
PubChem CID171801023
Molecular FormulaC9H12F3NO2
Molecular Weight223.19 g/mol
Exact Mass223.08
IUPAC Nameethane;1-methyl-3-(trifluoromethoxy)pyridin-2-one
SMILESCC.Cn1cccc(OC(F)(F)F)c1=O
InChIInChI=1S/C7H6F3NO2.C2H6/c1-11-4-2-3-5(6(11)12)13-7(8,9)10;1-2/h2-4H,1H3;1-2H3
InChIKeyTVRGZIOGUCOPNL-UHFFFAOYSA-N
XLogP2.31
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.19
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methyl-2-oxo-1,2-dihydropyridin-3-yl dimethylcarbamate
CID 325114
1-[[Fluoro(dimethyl)silyl]methyl]-3-methoxypyridin-2-one
CID 10751179
3-(1,1,2,3,3,3-Hexafluoropropyloxy)pyridin-2-ol
CID 14740074
5-Fluoro-3-methoxy-1-propan-2-ylpyridin-2-one
CID 57640442
3-(Difluoromethoxy)pyridin-2-ol
CID 66617507
5-Fluoro-3-methoxy-1-methylpyridin-2-one
CID 68092063
5-Bromo-3-(difluoromethoxy)-1-methylpyridin-2-one
CID 118022074
3-(Trifluoromethoxy)pyridin-2-OL
CID 130088832
3-(Difluoromethoxy)-1-methylpyridin-2-one
CID 135334628
5-Amino-1-(difluoromethyl)-3-ethoxypyridin-2-one
CID 156539475
5-Bromo-1-(difluoromethyl)-3-ethoxypyridin-2-one
CID 156539713
5-Amino-1-(difluoromethyl)-3-propoxypyridin-2-one
CID 156564063

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-3-(trifluoromethoxy)pyridin-2-one?
The IUPAC name of ethane;1-methyl-3-(trifluoromethoxy)pyridin-2-one (CID 171801023) is ethane;1-methyl-3-(trifluoromethoxy)pyridin-2-one.
What is the SMILES notation for ethane;1-methyl-3-(trifluoromethoxy)pyridin-2-one?
The canonical SMILES for ethane;1-methyl-3-(trifluoromethoxy)pyridin-2-one is CC.Cn1cccc(OC(F)(F)F)c1=O.
What is the InChIKey of ethane;1-methyl-3-(trifluoromethoxy)pyridin-2-one?
The InChIKey is TVRGZIOGUCOPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO2.C2H6/c1-11-4-2-3-5(6(11)12)13-7(8,9)10;1-2/h2-4H,1H3;1-2H3.
What are the key properties of ethane;1-methyl-3-(trifluoromethoxy)pyridin-2-one?
ethane;1-methyl-3-(trifluoromethoxy)pyridin-2-one has a molecular weight of 223.19 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-3-(trifluoromethoxy)pyridin-2-one is sourced from PubChem (CID 171801023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).