2-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroisoindol-4-ol

C11H14F3NO — CID 83208349

IUPAC2-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroisoindol-4-ol
SMILESOC1CCCc2cn(CCC(F)(F)F)cc21
InChIInChI=1S/C11H14F3NO/c12-11(13,14)4-5-15-6-8-2-1-3-10(16)9(8)7-15/h6-7,10,16H,1-5H2
InChIKeyVNSYDNDVZWPJHE-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.81
Rot. Bonds2

About 2-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroisoindol-4-ol

2-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroisoindol-4-ol (PubChem CID 83208349) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is 2-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroisoindol-4-ol.

Molecular Properties

Compound Name2-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroisoindol-4-ol
PubChem CID83208349
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name2-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroisoindol-4-ol
SMILESOC1CCCc2cn(CCC(F)(F)F)cc21
InChIInChI=1S/C11H14F3NO/c12-11(13,14)4-5-15-6-8-2-1-3-10(16)9(8)7-15/h6-7,10,16H,1-5H2
InChIKeyVNSYDNDVZWPJHE-UHFFFAOYSA-N
XLogP2.81
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3,3,3-trifluoropropyl)-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-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroisoindol-4-ol?
The IUPAC name of 2-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroisoindol-4-ol (CID 83208349) is 2-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroisoindol-4-ol.
What is the SMILES notation for 2-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroisoindol-4-ol?
The canonical SMILES for 2-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroisoindol-4-ol is OC1CCCc2cn(CCC(F)(F)F)cc21.
What is the InChIKey of 2-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroisoindol-4-ol?
The InChIKey is VNSYDNDVZWPJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c12-11(13,14)4-5-15-6-8-2-1-3-10(16)9(8)7-15/h6-7,10,16H,1-5H2.
What are the key properties of 2-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroisoindol-4-ol?
2-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroisoindol-4-ol has a molecular weight of 233.23 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroisoindol-4-ol is sourced from PubChem (CID 83208349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).