1-propan-2-yl-3-(trifluoromethoxy)pyridin-2-one

C9H10F3NO2 — CID 171746145

IUPAC1-propan-2-yl-3-(trifluoromethoxy)pyridin-2-one
SMILESCC(C)n1cccc(OC(F)(F)F)c1=O
InChIInChI=1S/C9H10F3NO2/c1-6(2)13-5-3-4-7(8(13)14)15-9(10,11)12/h3-6H,1-2H3
InChIKeyJYLVOILSMDCGDB-UHFFFAOYSA-N
MW221.18 g/mol
LogP2.33
Rot. Bonds2

About 1-propan-2-yl-3-(trifluoromethoxy)pyridin-2-one

1-propan-2-yl-3-(trifluoromethoxy)pyridin-2-one (PubChem CID 171746145) has the molecular formula C9H10F3NO2 and a molecular weight of 221.18 g/mol. Its IUPAC name is 1-propan-2-yl-3-(trifluoromethoxy)pyridin-2-one.

Molecular Properties

Compound Name1-propan-2-yl-3-(trifluoromethoxy)pyridin-2-one
PubChem CID171746145
Molecular FormulaC9H10F3NO2
Molecular Weight221.18 g/mol
Exact Mass221.07
IUPAC Name1-propan-2-yl-3-(trifluoromethoxy)pyridin-2-one
SMILESCC(C)n1cccc(OC(F)(F)F)c1=O
InChIInChI=1S/C9H10F3NO2/c1-6(2)13-5-3-4-7(8(13)14)15-9(10,11)12/h3-6H,1-2H3
InChIKeyJYLVOILSMDCGDB-UHFFFAOYSA-N
XLogP2.33
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-(trifluoromethoxy)pyridin-2-one?
The IUPAC name of 1-propan-2-yl-3-(trifluoromethoxy)pyridin-2-one (CID 171746145) is 1-propan-2-yl-3-(trifluoromethoxy)pyridin-2-one.
What is the SMILES notation for 1-propan-2-yl-3-(trifluoromethoxy)pyridin-2-one?
The canonical SMILES for 1-propan-2-yl-3-(trifluoromethoxy)pyridin-2-one is CC(C)n1cccc(OC(F)(F)F)c1=O.
What is the InChIKey of 1-propan-2-yl-3-(trifluoromethoxy)pyridin-2-one?
The InChIKey is JYLVOILSMDCGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO2/c1-6(2)13-5-3-4-7(8(13)14)15-9(10,11)12/h3-6H,1-2H3.
What are the key properties of 1-propan-2-yl-3-(trifluoromethoxy)pyridin-2-one?
1-propan-2-yl-3-(trifluoromethoxy)pyridin-2-one has a molecular weight of 221.18 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-(trifluoromethoxy)pyridin-2-one is sourced from PubChem (CID 171746145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).