2,2,2-trifluoro-1-[3-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]ethanone

C10H11F3N2O2 — CID 116984689

IUPAC2,2,2-trifluoro-1-[3-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]ethanone
SMILESO=C(c1nc(CO)n2c1CCCC2)C(F)(F)F
InChIInChI=1S/C10H11F3N2O2/c11-10(12,13)9(17)8-6-3-1-2-4-15(6)7(5-16)14-8/h16H,1-5H2
InChIKeyUOJHOJJSWDCNLJ-UHFFFAOYSA-N
MW248.20 g/mol
LogP1.46
Rot. Bonds2

About 2,2,2-trifluoro-1-[3-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]ethanone

2,2,2-trifluoro-1-[3-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]ethanone (PubChem CID 116984689) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[3-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[3-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]ethanone
PubChem CID116984689
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC Name2,2,2-trifluoro-1-[3-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]ethanone
SMILESO=C(c1nc(CO)n2c1CCCC2)C(F)(F)F
InChIInChI=1S/C10H11F3N2O2/c11-10(12,13)9(17)8-6-3-1-2-4-15(6)7(5-16)14-8/h16H,1-5H2
InChIKeyUOJHOJJSWDCNLJ-UHFFFAOYSA-N
XLogP1.46
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[3-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[3-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]ethanone (CID 116984689) is 2,2,2-trifluoro-1-[3-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[3-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[3-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]ethanone is O=C(c1nc(CO)n2c1CCCC2)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[3-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]ethanone?
The InChIKey is UOJHOJJSWDCNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c11-10(12,13)9(17)8-6-3-1-2-4-15(6)7(5-16)14-8/h16H,1-5H2.
What are the key properties of 2,2,2-trifluoro-1-[3-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]ethanone?
2,2,2-trifluoro-1-[3-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]ethanone has a molecular weight of 248.20 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[3-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]ethanone is sourced from PubChem (CID 116984689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).