ethane;1-(2-methoxyethyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one

C14H22F3NO2 — CID 157041508

IUPACethane;1-(2-methoxyethyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
SMILESCC.COCCn1cc(C(F)(F)F)cc(C(C)C)c1=O
InChIInChI=1S/C12H16F3NO2.C2H6/c1-8(2)10-6-9(12(13,14)15)7-16(11(10)17)4-5-18-3;1-2/h6-8H,4-5H2,1-3H3;1-2H3
InChIKeyOUNHXBYUNJSDBU-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.66
Rot. Bonds4

About ethane;1-(2-methoxyethyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one

ethane;1-(2-methoxyethyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one (PubChem CID 157041508) has the molecular formula C14H22F3NO2 and a molecular weight of 293.33 g/mol. Its IUPAC name is ethane;1-(2-methoxyethyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Nameethane;1-(2-methoxyethyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
PubChem CID157041508
Molecular FormulaC14H22F3NO2
Molecular Weight293.33 g/mol
Exact Mass293.16
IUPAC Nameethane;1-(2-methoxyethyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
SMILESCC.COCCn1cc(C(F)(F)F)cc(C(C)C)c1=O
InChIInChI=1S/C12H16F3NO2.C2H6/c1-8(2)10-6-9(12(13,14)15)7-16(11(10)17)4-5-18-3;1-2/h6-8H,4-5H2,1-3H3;1-2H3
InChIKeyOUNHXBYUNJSDBU-UHFFFAOYSA-N
XLogP3.66
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethane;1-(2-methoxyethyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-Methoxyethyl)-5-(trifluoromethyl)pyridin-2-one
CID 84313614
1-Methyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
CID 118301544
1-Ethyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
CID 118301545
Ethane;5-methyl-1-(2-methylpropyl)-3-(trifluoromethyl)pyridin-2-one
CID 144721534
(3Z)-N-[2-(1,1-difluoroethoxy)ethyl]-6-methyl-4-methylidene-3-[[methyl(2-methylbutyl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide
CID 144747832
1-(2-Methylpropyl)-5-propan-2-yl-3-(trifluoromethyl)pyridin-2-one
CID 145697734
3-Propan-2-yl-1-(2,2,2-trifluoroethyl)pyridin-2-one
CID 155010294
1-Ethyl-5-fluoro-3-propan-2-ylpyridin-2-one
CID 155119422
Ethane;3-ethyl-1-(2-methoxyethyl)-5-(trifluoromethyl)pyridin-2-one
CID 157041510
3-Ethyl-1-(2-methoxyethyl)-5-(trifluoromethyl)pyridin-2-one
CID 157041511
Ethane;1-(3-morpholin-4-ylpropyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
CID 157041812
3-Tert-butyl-1-(2-methoxyethyl)-5-(trifluoromethyl)pyridin-2-one
CID 157041819

Frequently Asked Questions

What is the IUPAC name of ethane;1-(2-methoxyethyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of ethane;1-(2-methoxyethyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one (CID 157041508) is ethane;1-(2-methoxyethyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for ethane;1-(2-methoxyethyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for ethane;1-(2-methoxyethyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one is CC.COCCn1cc(C(F)(F)F)cc(C(C)C)c1=O.
What is the InChIKey of ethane;1-(2-methoxyethyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is OUNHXBYUNJSDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO2.C2H6/c1-8(2)10-6-9(12(13,14)15)7-16(11(10)17)4-5-18-3;1-2/h6-8H,4-5H2,1-3H3;1-2H3.
What are the key properties of ethane;1-(2-methoxyethyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one?
ethane;1-(2-methoxyethyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 293.33 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(2-methoxyethyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 157041508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).