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

C9H9ClF3NO — CID 145342144

IUPAC3-chloro-1-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
SMILESCC(C)n1cc(C(F)(F)F)cc(Cl)c1=O
InChIInChI=1S/C9H9ClF3NO/c1-5(2)14-4-6(9(11,12)13)3-7(10)8(14)15/h3-5H,1-2H3
InChIKeyZQGCTVKPLZCFBG-UHFFFAOYSA-N
MW239.62 g/mol
LogP3.10
Rot. Bonds1

About 3-chloro-1-propan-2-yl-5-(trifluoromethyl)pyridin-2-one

3-chloro-1-propan-2-yl-5-(trifluoromethyl)pyridin-2-one (PubChem CID 145342144) has the molecular formula C9H9ClF3NO and a molecular weight of 239.62 g/mol. Its IUPAC name is 3-chloro-1-propan-2-yl-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name3-chloro-1-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
PubChem CID145342144
Molecular FormulaC9H9ClF3NO
Molecular Weight239.62 g/mol
Exact Mass239.03
IUPAC Name3-chloro-1-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
SMILESCC(C)n1cc(C(F)(F)F)cc(Cl)c1=O
InChIInChI=1S/C9H9ClF3NO/c1-5(2)14-4-6(9(11,12)13)3-7(10)8(14)15/h3-5H,1-2H3
InChIKeyZQGCTVKPLZCFBG-UHFFFAOYSA-N
XLogP3.10
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.62
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-propan-2-yl-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 3-chloro-1-propan-2-yl-5-(trifluoromethyl)pyridin-2-one (CID 145342144) is 3-chloro-1-propan-2-yl-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 3-chloro-1-propan-2-yl-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 3-chloro-1-propan-2-yl-5-(trifluoromethyl)pyridin-2-one is CC(C)n1cc(C(F)(F)F)cc(Cl)c1=O.
What is the InChIKey of 3-chloro-1-propan-2-yl-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is ZQGCTVKPLZCFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3NO/c1-5(2)14-4-6(9(11,12)13)3-7(10)8(14)15/h3-5H,1-2H3.
What are the key properties of 3-chloro-1-propan-2-yl-5-(trifluoromethyl)pyridin-2-one?
3-chloro-1-propan-2-yl-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 239.62 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-propan-2-yl-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 145342144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).