1-methyl-3-propan-2-yl-4,6-bis(trifluoromethyl)pyridin-2-one

C11H11F6NO — CID 170587813

IUPAC1-methyl-3-propan-2-yl-4,6-bis(trifluoromethyl)pyridin-2-one
SMILESCC(C)c1c(C(F)(F)F)cc(C(F)(F)F)n(C)c1=O
InChIInChI=1S/C11H11F6NO/c1-5(2)8-6(10(12,13)14)4-7(11(15,16)17)18(3)9(8)19/h4-5H,1-3H3
InChIKeyIKCURSSFGRFHIN-UHFFFAOYSA-N
MW287.20 g/mol
LogP3.55
Rot. Bonds1

About 1-methyl-3-propan-2-yl-4,6-bis(trifluoromethyl)pyridin-2-one

1-methyl-3-propan-2-yl-4,6-bis(trifluoromethyl)pyridin-2-one (PubChem CID 170587813) has the molecular formula C11H11F6NO and a molecular weight of 287.20 g/mol. Its IUPAC name is 1-methyl-3-propan-2-yl-4,6-bis(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-methyl-3-propan-2-yl-4,6-bis(trifluoromethyl)pyridin-2-one
PubChem CID170587813
Molecular FormulaC11H11F6NO
Molecular Weight287.20 g/mol
Exact Mass287.07
IUPAC Name1-methyl-3-propan-2-yl-4,6-bis(trifluoromethyl)pyridin-2-one
SMILESCC(C)c1c(C(F)(F)F)cc(C(F)(F)F)n(C)c1=O
InChIInChI=1S/C11H11F6NO/c1-5(2)8-6(10(12,13)14)4-7(11(15,16)17)18(3)9(8)19/h4-5H,1-3H3
InChIKeyIKCURSSFGRFHIN-UHFFFAOYSA-N
XLogP3.55
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propan-2-yl-4,6-bis(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-methyl-3-propan-2-yl-4,6-bis(trifluoromethyl)pyridin-2-one (CID 170587813) is 1-methyl-3-propan-2-yl-4,6-bis(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-methyl-3-propan-2-yl-4,6-bis(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-methyl-3-propan-2-yl-4,6-bis(trifluoromethyl)pyridin-2-one is CC(C)c1c(C(F)(F)F)cc(C(F)(F)F)n(C)c1=O.
What is the InChIKey of 1-methyl-3-propan-2-yl-4,6-bis(trifluoromethyl)pyridin-2-one?
The InChIKey is IKCURSSFGRFHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F6NO/c1-5(2)8-6(10(12,13)14)4-7(11(15,16)17)18(3)9(8)19/h4-5H,1-3H3.
What are the key properties of 1-methyl-3-propan-2-yl-4,6-bis(trifluoromethyl)pyridin-2-one?
1-methyl-3-propan-2-yl-4,6-bis(trifluoromethyl)pyridin-2-one has a molecular weight of 287.20 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propan-2-yl-4,6-bis(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 170587813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).