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

C11H15F3N2 — CID 83212760

IUPAC2-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroisoindol-4-amine
SMILESNC1CCCc2cn(CCC(F)(F)F)cc21
InChIInChI=1S/C11H15F3N2/c12-11(13,14)4-5-16-6-8-2-1-3-10(15)9(8)7-16/h6-7,10H,1-5,15H2
InChIKeyQXDRGRREUPLPRL-UHFFFAOYSA-N
MW232.25 g/mol
LogP2.78
Rot. Bonds2

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

2-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroisoindol-4-amine (PubChem CID 83212760) has the molecular formula C11H15F3N2 and a molecular weight of 232.25 g/mol. Its IUPAC name is 2-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroisoindol-4-amine.

Molecular Properties

Compound Name2-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroisoindol-4-amine
PubChem CID83212760
Molecular FormulaC11H15F3N2
Molecular Weight232.25 g/mol
Exact Mass232.12
IUPAC Name2-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroisoindol-4-amine
SMILESNC1CCCc2cn(CCC(F)(F)F)cc21
InChIInChI=1S/C11H15F3N2/c12-11(13,14)4-5-16-6-8-2-1-3-10(15)9(8)7-16/h6-7,10H,1-5,15H2
InChIKeyQXDRGRREUPLPRL-UHFFFAOYSA-N
XLogP2.78
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroisoindol-4-amine 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-amine?
The IUPAC name of 2-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroisoindol-4-amine (CID 83212760) is 2-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroisoindol-4-amine.
What is the SMILES notation for 2-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroisoindol-4-amine?
The canonical SMILES for 2-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroisoindol-4-amine is NC1CCCc2cn(CCC(F)(F)F)cc21.
What is the InChIKey of 2-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroisoindol-4-amine?
The InChIKey is QXDRGRREUPLPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2/c12-11(13,14)4-5-16-6-8-2-1-3-10(15)9(8)7-16/h6-7,10H,1-5,15H2.
What are the key properties of 2-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroisoindol-4-amine?
2-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroisoindol-4-amine has a molecular weight of 232.25 g/mol, XLogP of 2.78, 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-amine is sourced from PubChem (CID 83212760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).