1-(3-hydroxybutan-2-yl)-6-(trifluoromethyl)pyridin-2-one

C10H12F3NO2 — CID 81319877

IUPAC1-(3-hydroxybutan-2-yl)-6-(trifluoromethyl)pyridin-2-one
SMILESCC(O)C(C)n1c(C(F)(F)F)cccc1=O
InChIInChI=1S/C10H12F3NO2/c1-6(7(2)15)14-8(10(11,12)13)4-3-5-9(14)16/h3-7,15H,1-2H3
InChIKeyQJFGKXPJUIDIFV-UHFFFAOYSA-N
MW235.20 g/mol
LogP1.81
Rot. Bonds2

About 1-(3-hydroxybutan-2-yl)-6-(trifluoromethyl)pyridin-2-one

1-(3-hydroxybutan-2-yl)-6-(trifluoromethyl)pyridin-2-one (PubChem CID 81319877) has the molecular formula C10H12F3NO2 and a molecular weight of 235.20 g/mol. Its IUPAC name is 1-(3-hydroxybutan-2-yl)-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-(3-hydroxybutan-2-yl)-6-(trifluoromethyl)pyridin-2-one
PubChem CID81319877
Molecular FormulaC10H12F3NO2
Molecular Weight235.20 g/mol
Exact Mass235.08
IUPAC Name1-(3-hydroxybutan-2-yl)-6-(trifluoromethyl)pyridin-2-one
SMILESCC(O)C(C)n1c(C(F)(F)F)cccc1=O
InChIInChI=1S/C10H12F3NO2/c1-6(7(2)15)14-8(10(11,12)13)4-3-5-9(14)16/h3-7,15H,1-2H3
InChIKeyQJFGKXPJUIDIFV-UHFFFAOYSA-N
XLogP1.81
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxybutan-2-yl)-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-(3-hydroxybutan-2-yl)-6-(trifluoromethyl)pyridin-2-one (CID 81319877) is 1-(3-hydroxybutan-2-yl)-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-(3-hydroxybutan-2-yl)-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-(3-hydroxybutan-2-yl)-6-(trifluoromethyl)pyridin-2-one is CC(O)C(C)n1c(C(F)(F)F)cccc1=O.
What is the InChIKey of 1-(3-hydroxybutan-2-yl)-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is QJFGKXPJUIDIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO2/c1-6(7(2)15)14-8(10(11,12)13)4-3-5-9(14)16/h3-7,15H,1-2H3.
What are the key properties of 1-(3-hydroxybutan-2-yl)-6-(trifluoromethyl)pyridin-2-one?
1-(3-hydroxybutan-2-yl)-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 235.20 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxybutan-2-yl)-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 81319877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).