2-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)isoindole-1,3-diol

C11H7F6NO2 — CID 90867000

IUPAC2-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)isoindole-1,3-diol
SMILESOc1c2ccc(C(F)(F)F)cc2c(O)n1CC(F)(F)F
InChIInChI=1S/C11H7F6NO2/c12-10(13,14)4-18-8(19)6-2-1-5(11(15,16)17)3-7(6)9(18)20/h1-3,19-20H,4H2
InChIKeyGLFKOCVNBWRRPR-UHFFFAOYSA-N
MW299.17 g/mol
LogP3.63
Rot. Bonds1

About 2-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)isoindole-1,3-diol

2-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)isoindole-1,3-diol (PubChem CID 90867000) has the molecular formula C11H7F6NO2 and a molecular weight of 299.17 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)isoindole-1,3-diol.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)isoindole-1,3-diol
PubChem CID90867000
Molecular FormulaC11H7F6NO2
Molecular Weight299.17 g/mol
Exact Mass299.04
IUPAC Name2-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)isoindole-1,3-diol
SMILESOc1c2ccc(C(F)(F)F)cc2c(O)n1CC(F)(F)F
InChIInChI=1S/C11H7F6NO2/c12-10(13,14)4-18-8(19)6-2-1-5(11(15,16)17)3-7(6)9(18)20/h1-3,19-20H,4H2
InChIKeyGLFKOCVNBWRRPR-UHFFFAOYSA-N
XLogP3.63
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-benzyl-1,3-dioxoisoindolin-5-yl)-N-hydroxyacrylamide
CID 135424818
(E)-3-[1,3-dihydroxy-2-(2-phenylethyl)isoindol-5-yl]-N-oxoprop-2-enamide
CID 135906531
(E)-3-[1,3-dihydroxy-2-[(4-methylphenyl)methyl]isoindol-5-yl]-N-oxoprop-2-enamide
CID 135906532
6-Fluoro-2-[(4-fluorophenyl)methyl]-7-methylisoindol-1-ol
CID 90705871
9-Ethenyl-7-(trifluoromethyl)-1,2,3,4-tetrahydropyrazino[1,2-b]isoindol-6-ol
CID 90720398
2-[[4-(Trifluoromethyl)phenyl]methyl]isoindol-1-ol
CID 90773222
2-[3-(2,4-Difluorophenyl)propyl]isoindol-1-ol
CID 90794714
2-Benzyl-6-fluoroisoindol-1-ol
CID 90795823
2-[3-[3-(Trifluoromethyl)phenyl]propyl]isoindol-1-ol
CID 90805338
7-Methyl-5-pyridin-3-yl-2-(1,1,1-trifluoropropan-2-yl)isoindol-1-ol
CID 90861991
5-Fluoro-7-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]isoindol-1-ol
CID 90878820
5-Fluoro-7-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methyl]isoindol-1-ol
CID 90893129

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)isoindole-1,3-diol?
The IUPAC name of 2-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)isoindole-1,3-diol (CID 90867000) is 2-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)isoindole-1,3-diol.
What is the SMILES notation for 2-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)isoindole-1,3-diol?
The canonical SMILES for 2-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)isoindole-1,3-diol is Oc1c2ccc(C(F)(F)F)cc2c(O)n1CC(F)(F)F.
What is the InChIKey of 2-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)isoindole-1,3-diol?
The InChIKey is GLFKOCVNBWRRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F6NO2/c12-10(13,14)4-18-8(19)6-2-1-5(11(15,16)17)3-7(6)9(18)20/h1-3,19-20H,4H2.
What are the key properties of 2-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)isoindole-1,3-diol?
2-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)isoindole-1,3-diol has a molecular weight of 299.17 g/mol, XLogP of 3.63, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)isoindole-1,3-diol is sourced from PubChem (CID 90867000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).