5-(trifluoromethyl)-2,3-dihydro-1H-indole-6-carboxylic acid;hydrochloride

C10H9ClF3NO2 — CID 71756595

IUPAC5-(trifluoromethyl)-2,3-dihydro-1H-indole-6-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cc2c(cc1C(F)(F)F)CCN2
InChIInChI=1S/C10H8F3NO2.ClH/c11-10(12,13)7-3-5-1-2-14-8(5)4-6(7)9(15)16;/h3-4,14H,1-2H2,(H,15,16);1H
InChIKeyKDEOEEYCPLTNGN-UHFFFAOYSA-N
MW267.63 g/mol
LogP2.79
Rot. Bonds1

About 5-(trifluoromethyl)-2,3-dihydro-1H-indole-6-carboxylic acid;hydrochloride

5-(trifluoromethyl)-2,3-dihydro-1H-indole-6-carboxylic acid;hydrochloride (PubChem CID 71756595) has the molecular formula C10H9ClF3NO2 and a molecular weight of 267.63 g/mol. Its IUPAC name is 5-(trifluoromethyl)-2,3-dihydro-1H-indole-6-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name5-(trifluoromethyl)-2,3-dihydro-1H-indole-6-carboxylic acid;hydrochloride
PubChem CID71756595
Molecular FormulaC10H9ClF3NO2
Molecular Weight267.63 g/mol
Exact Mass267.03
IUPAC Name5-(trifluoromethyl)-2,3-dihydro-1H-indole-6-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cc2c(cc1C(F)(F)F)CCN2
InChIInChI=1S/C10H8F3NO2.ClH/c11-10(12,13)7-3-5-1-2-14-8(5)4-6(7)9(15)16;/h3-4,14H,1-2H2,(H,15,16);1H
InChIKeyKDEOEEYCPLTNGN-UHFFFAOYSA-N
XLogP2.79
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.63
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-(trifluoromethyl)-2,3-dihydro-1H-indole-6-carboxylic acid;hydrochloride 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 5-(trifluoromethyl)-2,3-dihydro-1H-indole-6-carboxylic acid;hydrochloride?
The IUPAC name of 5-(trifluoromethyl)-2,3-dihydro-1H-indole-6-carboxylic acid;hydrochloride (CID 71756595) is 5-(trifluoromethyl)-2,3-dihydro-1H-indole-6-carboxylic acid;hydrochloride.
What is the SMILES notation for 5-(trifluoromethyl)-2,3-dihydro-1H-indole-6-carboxylic acid;hydrochloride?
The canonical SMILES for 5-(trifluoromethyl)-2,3-dihydro-1H-indole-6-carboxylic acid;hydrochloride is Cl.O=C(O)c1cc2c(cc1C(F)(F)F)CCN2.
What is the InChIKey of 5-(trifluoromethyl)-2,3-dihydro-1H-indole-6-carboxylic acid;hydrochloride?
The InChIKey is KDEOEEYCPLTNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NO2.ClH/c11-10(12,13)7-3-5-1-2-14-8(5)4-6(7)9(15)16;/h3-4,14H,1-2H2,(H,15,16);1H.
What are the key properties of 5-(trifluoromethyl)-2,3-dihydro-1H-indole-6-carboxylic acid;hydrochloride?
5-(trifluoromethyl)-2,3-dihydro-1H-indole-6-carboxylic acid;hydrochloride has a molecular weight of 267.63 g/mol, XLogP of 2.79, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-2,3-dihydro-1H-indole-6-carboxylic acid;hydrochloride is sourced from PubChem (CID 71756595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).