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

C11H13F3N2O2 — CID 116984690

IUPAC2,2,2-trifluoro-1-[3-(2-hydroxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]ethanone
SMILESO=C(c1nc(CCO)n2c1CCCC2)C(F)(F)F
InChIInChI=1S/C11H13F3N2O2/c12-11(13,14)10(18)9-7-3-1-2-5-16(7)8(15-9)4-6-17/h17H,1-6H2
InChIKeyQFAUWCYGJHYJCG-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.50
Rot. Bonds3

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

2,2,2-trifluoro-1-[3-(2-hydroxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]ethanone (PubChem CID 116984690) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[3-(2-hydroxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[3-(2-hydroxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]ethanone
PubChem CID116984690
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC Name2,2,2-trifluoro-1-[3-(2-hydroxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]ethanone
SMILESO=C(c1nc(CCO)n2c1CCCC2)C(F)(F)F
InChIInChI=1S/C11H13F3N2O2/c12-11(13,14)10(18)9-7-3-1-2-5-16(7)8(15-9)4-6-17/h17H,1-6H2
InChIKeyQFAUWCYGJHYJCG-UHFFFAOYSA-N
XLogP1.50
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.50
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-(2-hydroxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[3-(2-hydroxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]ethanone (CID 116984690) is 2,2,2-trifluoro-1-[3-(2-hydroxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[3-(2-hydroxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[3-(2-hydroxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]ethanone is O=C(c1nc(CCO)n2c1CCCC2)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[3-(2-hydroxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]ethanone?
The InChIKey is QFAUWCYGJHYJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c12-11(13,14)10(18)9-7-3-1-2-5-16(7)8(15-9)4-6-17/h17H,1-6H2.
What are the key properties of 2,2,2-trifluoro-1-[3-(2-hydroxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]ethanone?
2,2,2-trifluoro-1-[3-(2-hydroxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]ethanone has a molecular weight of 262.23 g/mol, XLogP of 1.50, 3 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-(2-hydroxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]ethanone is sourced from PubChem (CID 116984690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).