1-(1,1,3-trifluoro-2-methylpropan-2-yl)pyridin-4-one

C9H10F3NO — CID 90423698

IUPAC1-(1,1,3-trifluoro-2-methylpropan-2-yl)pyridin-4-one
SMILESCC(CF)(C(F)F)n1ccc(=O)cc1
InChIInChI=1S/C9H10F3NO/c1-9(6-10,8(11)12)13-4-2-7(14)3-5-13/h2-5,8H,6H2,1H3
InChIKeyPOXIWFZXGWVKNB-UHFFFAOYSA-N
MW205.18 g/mol
LogP1.80
Rot. Bonds3

About 1-(1,1,3-trifluoro-2-methylpropan-2-yl)pyridin-4-one

1-(1,1,3-trifluoro-2-methylpropan-2-yl)pyridin-4-one (PubChem CID 90423698) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is 1-(1,1,3-trifluoro-2-methylpropan-2-yl)pyridin-4-one.

Molecular Properties

Compound Name1-(1,1,3-trifluoro-2-methylpropan-2-yl)pyridin-4-one
PubChem CID90423698
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name1-(1,1,3-trifluoro-2-methylpropan-2-yl)pyridin-4-one
SMILESCC(CF)(C(F)F)n1ccc(=O)cc1
InChIInChI=1S/C9H10F3NO/c1-9(6-10,8(11)12)13-4-2-7(14)3-5-13/h2-5,8H,6H2,1H3
InChIKeyPOXIWFZXGWVKNB-UHFFFAOYSA-N
XLogP1.80
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1,3-trifluoro-2-methylpropan-2-yl)pyridin-4-one?
The IUPAC name of 1-(1,1,3-trifluoro-2-methylpropan-2-yl)pyridin-4-one (CID 90423698) is 1-(1,1,3-trifluoro-2-methylpropan-2-yl)pyridin-4-one.
What is the SMILES notation for 1-(1,1,3-trifluoro-2-methylpropan-2-yl)pyridin-4-one?
The canonical SMILES for 1-(1,1,3-trifluoro-2-methylpropan-2-yl)pyridin-4-one is CC(CF)(C(F)F)n1ccc(=O)cc1.
What is the InChIKey of 1-(1,1,3-trifluoro-2-methylpropan-2-yl)pyridin-4-one?
The InChIKey is POXIWFZXGWVKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO/c1-9(6-10,8(11)12)13-4-2-7(14)3-5-13/h2-5,8H,6H2,1H3.
What are the key properties of 1-(1,1,3-trifluoro-2-methylpropan-2-yl)pyridin-4-one?
1-(1,1,3-trifluoro-2-methylpropan-2-yl)pyridin-4-one has a molecular weight of 205.18 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,3-trifluoro-2-methylpropan-2-yl)pyridin-4-one is sourced from PubChem (CID 90423698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).