3-propan-2-yloxy-1-(trifluoromethyl)-1H-isoindole

C12H12F3NO — CID 14363757

IUPAC3-propan-2-yloxy-1-(trifluoromethyl)-1H-isoindole
SMILESCC(C)OC1=NC(C(F)(F)F)c2ccccc21
InChIInChI=1S/C12H12F3NO/c1-7(2)17-11-9-6-4-3-5-8(9)10(16-11)12(13,14)15/h3-7,10H,1-2H3
InChIKeyGWMRFQKQLKQIBN-UHFFFAOYSA-N
MW243.23 g/mol
LogP3.48
Rot. Bonds1

About 3-propan-2-yloxy-1-(trifluoromethyl)-1H-isoindole

3-propan-2-yloxy-1-(trifluoromethyl)-1H-isoindole (PubChem CID 14363757) has the molecular formula C12H12F3NO and a molecular weight of 243.23 g/mol. Its IUPAC name is 3-propan-2-yloxy-1-(trifluoromethyl)-1H-isoindole.

Molecular Properties

Compound Name3-propan-2-yloxy-1-(trifluoromethyl)-1H-isoindole
PubChem CID14363757
Molecular FormulaC12H12F3NO
Molecular Weight243.23 g/mol
Exact Mass243.09
IUPAC Name3-propan-2-yloxy-1-(trifluoromethyl)-1H-isoindole
SMILESCC(C)OC1=NC(C(F)(F)F)c2ccccc21
InChIInChI=1S/C12H12F3NO/c1-7(2)17-11-9-6-4-3-5-8(9)10(16-11)12(13,14)15/h3-7,10H,1-2H3
InChIKeyGWMRFQKQLKQIBN-UHFFFAOYSA-N
XLogP3.48
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-propan-2-yloxy-1-(trifluoromethyl)-1H-isoindole 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 3-propan-2-yloxy-1-(trifluoromethyl)-1H-isoindole?
The IUPAC name of 3-propan-2-yloxy-1-(trifluoromethyl)-1H-isoindole (CID 14363757) is 3-propan-2-yloxy-1-(trifluoromethyl)-1H-isoindole.
What is the SMILES notation for 3-propan-2-yloxy-1-(trifluoromethyl)-1H-isoindole?
The canonical SMILES for 3-propan-2-yloxy-1-(trifluoromethyl)-1H-isoindole is CC(C)OC1=NC(C(F)(F)F)c2ccccc21.
What is the InChIKey of 3-propan-2-yloxy-1-(trifluoromethyl)-1H-isoindole?
The InChIKey is GWMRFQKQLKQIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO/c1-7(2)17-11-9-6-4-3-5-8(9)10(16-11)12(13,14)15/h3-7,10H,1-2H3.
What are the key properties of 3-propan-2-yloxy-1-(trifluoromethyl)-1H-isoindole?
3-propan-2-yloxy-1-(trifluoromethyl)-1H-isoindole has a molecular weight of 243.23 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxy-1-(trifluoromethyl)-1H-isoindole is sourced from PubChem (CID 14363757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).