2,2,2-trifluoro-1-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]ethanone

C10H4F6N2O — CID 75465278

IUPAC2,2,2-trifluoro-1-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]ethanone
SMILESO=C(c1nc(C(F)(F)F)n2ccccc12)C(F)(F)F
InChIInChI=1S/C10H4F6N2O/c11-9(12,13)7(19)6-5-3-1-2-4-18(5)8(17-6)10(14,15)16/h1-4H
InChIKeyFVBFRGMTFXQOMU-UHFFFAOYSA-N
MW282.14 g/mol
LogP3.10
Rot. Bonds1

About 2,2,2-trifluoro-1-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]ethanone

2,2,2-trifluoro-1-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]ethanone (PubChem CID 75465278) has the molecular formula C10H4F6N2O and a molecular weight of 282.14 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]ethanone
PubChem CID75465278
Molecular FormulaC10H4F6N2O
Molecular Weight282.14 g/mol
Exact Mass282.02
IUPAC Name2,2,2-trifluoro-1-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]ethanone
SMILESO=C(c1nc(C(F)(F)F)n2ccccc12)C(F)(F)F
InChIInChI=1S/C10H4F6N2O/c11-9(12,13)7(19)6-5-3-1-2-4-18(5)8(17-6)10(14,15)16/h1-4H
InChIKeyFVBFRGMTFXQOMU-UHFFFAOYSA-N
XLogP3.10
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]ethanone (CID 75465278) is 2,2,2-trifluoro-1-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]ethanone is O=C(c1nc(C(F)(F)F)n2ccccc12)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]ethanone?
The InChIKey is FVBFRGMTFXQOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F6N2O/c11-9(12,13)7(19)6-5-3-1-2-4-18(5)8(17-6)10(14,15)16/h1-4H.
What are the key properties of 2,2,2-trifluoro-1-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]ethanone?
2,2,2-trifluoro-1-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]ethanone has a molecular weight of 282.14 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]ethanone is sourced from PubChem (CID 75465278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).