5-bromo-2-(trifluoromethyl)-2,3-dihydro-1H-indole

C9H7BrF3N — CID 83488810

IUPAC5-bromo-2-(trifluoromethyl)-2,3-dihydro-1H-indole
SMILESFC(F)(F)C1Cc2cc(Br)ccc2N1
InChIInChI=1S/C9H7BrF3N/c10-6-1-2-7-5(3-6)4-8(14-7)9(11,12)13/h1-3,8,14H,4H2
InChIKeyAWZWUAILGSGIFI-UHFFFAOYSA-N
MW266.06 g/mol
LogP3.35
Rot. Bonds

About 5-bromo-2-(trifluoromethyl)-2,3-dihydro-1H-indole

5-bromo-2-(trifluoromethyl)-2,3-dihydro-1H-indole (PubChem CID 83488810) has the molecular formula C9H7BrF3N and a molecular weight of 266.06 g/mol. Its IUPAC name is 5-bromo-2-(trifluoromethyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-bromo-2-(trifluoromethyl)-2,3-dihydro-1H-indole
PubChem CID83488810
Molecular FormulaC9H7BrF3N
Molecular Weight266.06 g/mol
Exact Mass264.97
IUPAC Name5-bromo-2-(trifluoromethyl)-2,3-dihydro-1H-indole
SMILESFC(F)(F)C1Cc2cc(Br)ccc2N1
InChIInChI=1S/C9H7BrF3N/c10-6-1-2-7-5(3-6)4-8(14-7)9(11,12)13/h1-3,8,14H,4H2
InChIKeyAWZWUAILGSGIFI-UHFFFAOYSA-N
XLogP3.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.06
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-bromo-2-(trifluoromethyl)-2,3-dihydro-1H-indole 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-bromo-2-(trifluoromethyl)-2,3-dihydro-1H-indole?
The IUPAC name of 5-bromo-2-(trifluoromethyl)-2,3-dihydro-1H-indole (CID 83488810) is 5-bromo-2-(trifluoromethyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-bromo-2-(trifluoromethyl)-2,3-dihydro-1H-indole?
The canonical SMILES for 5-bromo-2-(trifluoromethyl)-2,3-dihydro-1H-indole is FC(F)(F)C1Cc2cc(Br)ccc2N1.
What is the InChIKey of 5-bromo-2-(trifluoromethyl)-2,3-dihydro-1H-indole?
The InChIKey is AWZWUAILGSGIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF3N/c10-6-1-2-7-5(3-6)4-8(14-7)9(11,12)13/h1-3,8,14H,4H2.
What are the key properties of 5-bromo-2-(trifluoromethyl)-2,3-dihydro-1H-indole?
5-bromo-2-(trifluoromethyl)-2,3-dihydro-1H-indole has a molecular weight of 266.06 g/mol, XLogP of 3.35, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(trifluoromethyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 83488810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).