2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroisoindol-4-ol

C10H12F3NO — CID 83207978

IUPAC2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroisoindol-4-ol
SMILESOC1CCCc2cn(CC(F)(F)F)cc21
InChIInChI=1S/C10H12F3NO/c11-10(12,13)6-14-4-7-2-1-3-9(15)8(7)5-14/h4-5,9,15H,1-3,6H2
InChIKeyFORLPYSSKWUGJT-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.42
Rot. Bonds1

About 2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroisoindol-4-ol

2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroisoindol-4-ol (PubChem CID 83207978) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroisoindol-4-ol.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroisoindol-4-ol
PubChem CID83207978
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroisoindol-4-ol
SMILESOC1CCCc2cn(CC(F)(F)F)cc21
InChIInChI=1S/C10H12F3NO/c11-10(12,13)6-14-4-7-2-1-3-9(15)8(7)5-14/h4-5,9,15H,1-3,6H2
InChIKeyFORLPYSSKWUGJT-UHFFFAOYSA-N
XLogP2.42
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroisoindol-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroisoindol-4-ol?
The IUPAC name of 2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroisoindol-4-ol (CID 83207978) is 2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroisoindol-4-ol.
What is the SMILES notation for 2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroisoindol-4-ol?
The canonical SMILES for 2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroisoindol-4-ol is OC1CCCc2cn(CC(F)(F)F)cc21.
What is the InChIKey of 2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroisoindol-4-ol?
The InChIKey is FORLPYSSKWUGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO/c11-10(12,13)6-14-4-7-2-1-3-9(15)8(7)5-14/h4-5,9,15H,1-3,6H2.
What are the key properties of 2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroisoindol-4-ol?
2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroisoindol-4-ol has a molecular weight of 219.21 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroisoindol-4-ol is sourced from PubChem (CID 83207978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).