ethane;5-methyl-1-(2-methylpropyl)-3-(trifluoromethyl)pyridin-2-one

C13H20F3NO — CID 144721534

IUPACethane;5-methyl-1-(2-methylpropyl)-3-(trifluoromethyl)pyridin-2-one
SMILESCC.Cc1cc(C(F)(F)F)c(=O)n(CC(C)C)c1
InChIInChI=1S/C11H14F3NO.C2H6/c1-7(2)5-15-6-8(3)4-9(10(15)16)11(12,13)14;1-2/h4,6-7H,5H2,1-3H3;1-2H3
InChIKeyAYDPTDCXQZHMBU-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.86
Rot. Bonds2

About ethane;5-methyl-1-(2-methylpropyl)-3-(trifluoromethyl)pyridin-2-one

ethane;5-methyl-1-(2-methylpropyl)-3-(trifluoromethyl)pyridin-2-one (PubChem CID 144721534) has the molecular formula C13H20F3NO and a molecular weight of 263.30 g/mol. Its IUPAC name is ethane;5-methyl-1-(2-methylpropyl)-3-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Nameethane;5-methyl-1-(2-methylpropyl)-3-(trifluoromethyl)pyridin-2-one
PubChem CID144721534
Molecular FormulaC13H20F3NO
Molecular Weight263.30 g/mol
Exact Mass263.15
IUPAC Nameethane;5-methyl-1-(2-methylpropyl)-3-(trifluoromethyl)pyridin-2-one
SMILESCC.Cc1cc(C(F)(F)F)c(=O)n(CC(C)C)c1
InChIInChI=1S/C11H14F3NO.C2H6/c1-7(2)5-15-6-8(3)4-9(10(15)16)11(12,13)14;1-2/h4,6-7H,5H2,1-3H3;1-2H3
InChIKeyAYDPTDCXQZHMBU-UHFFFAOYSA-N
XLogP3.86
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-1-(2-methylpropyl)-3-(trifluoromethyl)pyridin-2-one?
The IUPAC name of ethane;5-methyl-1-(2-methylpropyl)-3-(trifluoromethyl)pyridin-2-one (CID 144721534) is ethane;5-methyl-1-(2-methylpropyl)-3-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for ethane;5-methyl-1-(2-methylpropyl)-3-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for ethane;5-methyl-1-(2-methylpropyl)-3-(trifluoromethyl)pyridin-2-one is CC.Cc1cc(C(F)(F)F)c(=O)n(CC(C)C)c1.
What is the InChIKey of ethane;5-methyl-1-(2-methylpropyl)-3-(trifluoromethyl)pyridin-2-one?
The InChIKey is AYDPTDCXQZHMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO.C2H6/c1-7(2)5-15-6-8(3)4-9(10(15)16)11(12,13)14;1-2/h4,6-7H,5H2,1-3H3;1-2H3.
What are the key properties of ethane;5-methyl-1-(2-methylpropyl)-3-(trifluoromethyl)pyridin-2-one?
ethane;5-methyl-1-(2-methylpropyl)-3-(trifluoromethyl)pyridin-2-one has a molecular weight of 263.30 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-1-(2-methylpropyl)-3-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 144721534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).