5-propan-2-yl-1-(trifluoromethyl)pyridin-2-one

C9H10F3NO — CID 58450097

IUPAC5-propan-2-yl-1-(trifluoromethyl)pyridin-2-one
SMILESCC(C)c1ccc(=O)n(C(F)(F)F)c1
InChIInChI=1S/C9H10F3NO/c1-6(2)7-3-4-8(14)13(5-7)9(10,11)12/h3-6H,1-2H3
InChIKeyXPWUMMSZEWFDCM-UHFFFAOYSA-N
MW205.18 g/mol
LogP2.45
Rot. Bonds1

About 5-propan-2-yl-1-(trifluoromethyl)pyridin-2-one

5-propan-2-yl-1-(trifluoromethyl)pyridin-2-one (PubChem CID 58450097) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is 5-propan-2-yl-1-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name5-propan-2-yl-1-(trifluoromethyl)pyridin-2-one
PubChem CID58450097
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name5-propan-2-yl-1-(trifluoromethyl)pyridin-2-one
SMILESCC(C)c1ccc(=O)n(C(F)(F)F)c1
InChIInChI=1S/C9H10F3NO/c1-6(2)7-3-4-8(14)13(5-7)9(10,11)12/h3-6H,1-2H3
InChIKeyXPWUMMSZEWFDCM-UHFFFAOYSA-N
XLogP2.45
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-1-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 5-propan-2-yl-1-(trifluoromethyl)pyridin-2-one (CID 58450097) is 5-propan-2-yl-1-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 5-propan-2-yl-1-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 5-propan-2-yl-1-(trifluoromethyl)pyridin-2-one is CC(C)c1ccc(=O)n(C(F)(F)F)c1.
What is the InChIKey of 5-propan-2-yl-1-(trifluoromethyl)pyridin-2-one?
The InChIKey is XPWUMMSZEWFDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO/c1-6(2)7-3-4-8(14)13(5-7)9(10,11)12/h3-6H,1-2H3.
What are the key properties of 5-propan-2-yl-1-(trifluoromethyl)pyridin-2-one?
5-propan-2-yl-1-(trifluoromethyl)pyridin-2-one has a molecular weight of 205.18 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-1-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 58450097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).