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

C11H15ClF3NO — CID 145342143

IUPAC3-chloro-1-propan-2-yl-5-(trifluoromethyl)pyridin-2-one;ethane
SMILESCC.CC(C)n1cc(C(F)(F)F)cc(Cl)c1=O
InChIInChI=1S/C9H9ClF3NO.C2H6/c1-5(2)14-4-6(9(11,12)13)3-7(10)8(14)15;1-2/h3-5H,1-2H3;1-2H3
InChIKeyIXKAQMSMFYVBFL-UHFFFAOYSA-N
MW269.69 g/mol
LogP4.13
Rot. Bonds1

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

3-chloro-1-propan-2-yl-5-(trifluoromethyl)pyridin-2-one;ethane (PubChem CID 145342143) has the molecular formula C11H15ClF3NO and a molecular weight of 269.69 g/mol. Its IUPAC name is 3-chloro-1-propan-2-yl-5-(trifluoromethyl)pyridin-2-one;ethane.

Molecular Properties

Compound Name3-chloro-1-propan-2-yl-5-(trifluoromethyl)pyridin-2-one;ethane
PubChem CID145342143
Molecular FormulaC11H15ClF3NO
Molecular Weight269.69 g/mol
Exact Mass269.08
IUPAC Name3-chloro-1-propan-2-yl-5-(trifluoromethyl)pyridin-2-one;ethane
SMILESCC.CC(C)n1cc(C(F)(F)F)cc(Cl)c1=O
InChIInChI=1S/C9H9ClF3NO.C2H6/c1-5(2)14-4-6(9(11,12)13)3-7(10)8(14)15;1-2/h3-5H,1-2H3;1-2H3
InChIKeyIXKAQMSMFYVBFL-UHFFFAOYSA-N
XLogP4.13
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.69
LogP ≤ 54.13
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;ethane?
The IUPAC name of 3-chloro-1-propan-2-yl-5-(trifluoromethyl)pyridin-2-one;ethane (CID 145342143) is 3-chloro-1-propan-2-yl-5-(trifluoromethyl)pyridin-2-one;ethane.
What is the SMILES notation for 3-chloro-1-propan-2-yl-5-(trifluoromethyl)pyridin-2-one;ethane?
The canonical SMILES for 3-chloro-1-propan-2-yl-5-(trifluoromethyl)pyridin-2-one;ethane is CC.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;ethane?
The InChIKey is IXKAQMSMFYVBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3NO.C2H6/c1-5(2)14-4-6(9(11,12)13)3-7(10)8(14)15;1-2/h3-5H,1-2H3;1-2H3.
What are the key properties of 3-chloro-1-propan-2-yl-5-(trifluoromethyl)pyridin-2-one;ethane?
3-chloro-1-propan-2-yl-5-(trifluoromethyl)pyridin-2-one;ethane has a molecular weight of 269.69 g/mol, XLogP of 4.13, 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;ethane is sourced from PubChem (CID 145342143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).