2-(trifluoromethyl)-5,6-dihydroimidazo[2,1-a]isoquinoline-8-carboxylic acid

C13H9F3N2O2 — CID 175566712

IUPAC2-(trifluoromethyl)-5,6-dihydroimidazo[2,1-a]isoquinoline-8-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CCn1cc(C(F)(F)F)nc1-2
InChIInChI=1S/C13H9F3N2O2/c14-13(15,16)10-6-18-4-3-7-5-8(12(19)20)1-2-9(7)11(18)17-10/h1-2,5-6H,3-4H2,(H,19,20)
InChIKeyKSEOJEUDGNPYCV-UHFFFAOYSA-N
MW282.22 g/mol
LogP2.82
Rot. Bonds1

About 2-(trifluoromethyl)-5,6-dihydroimidazo[2,1-a]isoquinoline-8-carboxylic acid

2-(trifluoromethyl)-5,6-dihydroimidazo[2,1-a]isoquinoline-8-carboxylic acid (PubChem CID 175566712) has the molecular formula C13H9F3N2O2 and a molecular weight of 282.22 g/mol. Its IUPAC name is 2-(trifluoromethyl)-5,6-dihydroimidazo[2,1-a]isoquinoline-8-carboxylic acid.

Molecular Properties

Compound Name2-(trifluoromethyl)-5,6-dihydroimidazo[2,1-a]isoquinoline-8-carboxylic acid
PubChem CID175566712
Molecular FormulaC13H9F3N2O2
Molecular Weight282.22 g/mol
Exact Mass282.06
IUPAC Name2-(trifluoromethyl)-5,6-dihydroimidazo[2,1-a]isoquinoline-8-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CCn1cc(C(F)(F)F)nc1-2
InChIInChI=1S/C13H9F3N2O2/c14-13(15,16)10-6-18-4-3-7-5-8(12(19)20)1-2-9(7)11(18)17-10/h1-2,5-6H,3-4H2,(H,19,20)
InChIKeyKSEOJEUDGNPYCV-UHFFFAOYSA-N
XLogP2.82
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-5,6-dihydroimidazo[2,1-a]isoquinoline-8-carboxylic acid?
The IUPAC name of 2-(trifluoromethyl)-5,6-dihydroimidazo[2,1-a]isoquinoline-8-carboxylic acid (CID 175566712) is 2-(trifluoromethyl)-5,6-dihydroimidazo[2,1-a]isoquinoline-8-carboxylic acid.
What is the SMILES notation for 2-(trifluoromethyl)-5,6-dihydroimidazo[2,1-a]isoquinoline-8-carboxylic acid?
The canonical SMILES for 2-(trifluoromethyl)-5,6-dihydroimidazo[2,1-a]isoquinoline-8-carboxylic acid is O=C(O)c1ccc2c(c1)CCn1cc(C(F)(F)F)nc1-2.
What is the InChIKey of 2-(trifluoromethyl)-5,6-dihydroimidazo[2,1-a]isoquinoline-8-carboxylic acid?
The InChIKey is KSEOJEUDGNPYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2O2/c14-13(15,16)10-6-18-4-3-7-5-8(12(19)20)1-2-9(7)11(18)17-10/h1-2,5-6H,3-4H2,(H,19,20).
What are the key properties of 2-(trifluoromethyl)-5,6-dihydroimidazo[2,1-a]isoquinoline-8-carboxylic acid?
2-(trifluoromethyl)-5,6-dihydroimidazo[2,1-a]isoquinoline-8-carboxylic acid has a molecular weight of 282.22 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-5,6-dihydroimidazo[2,1-a]isoquinoline-8-carboxylic acid is sourced from PubChem (CID 175566712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).