ethane;1-methyl-4-propan-2-ylpyridin-2-one;3-(trifluoromethyl)pyridine

C17H23F3N2O — CID 145084051

IUPACethane;1-methyl-4-propan-2-ylpyridin-2-one;3-(trifluoromethyl)pyridine
SMILESCC.CC(C)c1ccn(C)c(=O)c1.FC(F)(F)c1cccnc1
InChIInChI=1S/C9H13NO.C6H4F3N.C2H6/c1-7(2)8-4-5-10(3)9(11)6-8;7-6(8,9)5-2-1-3-10-4-5;1-2/h4-7H,1-3H3;1-4H;1-2H3
InChIKeyGBJDHNVKBPUVIM-UHFFFAOYSA-N
MW328.38 g/mol
LogP4.64
Rot. Bonds1

About ethane;1-methyl-4-propan-2-ylpyridin-2-one;3-(trifluoromethyl)pyridine

ethane;1-methyl-4-propan-2-ylpyridin-2-one;3-(trifluoromethyl)pyridine (PubChem CID 145084051) has the molecular formula C17H23F3N2O and a molecular weight of 328.38 g/mol. Its IUPAC name is ethane;1-methyl-4-propan-2-ylpyridin-2-one;3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Nameethane;1-methyl-4-propan-2-ylpyridin-2-one;3-(trifluoromethyl)pyridine
PubChem CID145084051
Molecular FormulaC17H23F3N2O
Molecular Weight328.38 g/mol
Exact Mass328.18
IUPAC Nameethane;1-methyl-4-propan-2-ylpyridin-2-one;3-(trifluoromethyl)pyridine
SMILESCC.CC(C)c1ccn(C)c(=O)c1.FC(F)(F)c1cccnc1
InChIInChI=1S/C9H13NO.C6H4F3N.C2H6/c1-7(2)8-4-5-10(3)9(11)6-8;7-6(8,9)5-2-1-3-10-4-5;1-2/h4-7H,1-3H3;1-4H;1-2H3
InChIKeyGBJDHNVKBPUVIM-UHFFFAOYSA-N
XLogP4.64
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-propan-2-ylpyridin-2-one;3-(trifluoromethyl)pyridine?
The IUPAC name of ethane;1-methyl-4-propan-2-ylpyridin-2-one;3-(trifluoromethyl)pyridine (CID 145084051) is ethane;1-methyl-4-propan-2-ylpyridin-2-one;3-(trifluoromethyl)pyridine.
What is the SMILES notation for ethane;1-methyl-4-propan-2-ylpyridin-2-one;3-(trifluoromethyl)pyridine?
The canonical SMILES for ethane;1-methyl-4-propan-2-ylpyridin-2-one;3-(trifluoromethyl)pyridine is CC.CC(C)c1ccn(C)c(=O)c1.FC(F)(F)c1cccnc1.
What is the InChIKey of ethane;1-methyl-4-propan-2-ylpyridin-2-one;3-(trifluoromethyl)pyridine?
The InChIKey is GBJDHNVKBPUVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO.C6H4F3N.C2H6/c1-7(2)8-4-5-10(3)9(11)6-8;7-6(8,9)5-2-1-3-10-4-5;1-2/h4-7H,1-3H3;1-4H;1-2H3.
What are the key properties of ethane;1-methyl-4-propan-2-ylpyridin-2-one;3-(trifluoromethyl)pyridine?
ethane;1-methyl-4-propan-2-ylpyridin-2-one;3-(trifluoromethyl)pyridine has a molecular weight of 328.38 g/mol, XLogP of 4.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-propan-2-ylpyridin-2-one;3-(trifluoromethyl)pyridine is sourced from PubChem (CID 145084051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).