4-methyl-6-(trifluoromethyl)-1H-indole

C10H8F3N — CID 70228775

IUPAC4-methyl-6-(trifluoromethyl)-1H-indole
SMILESCc1cc(C(F)(F)F)cc2[nH]ccc12
InChIInChI=1S/C10H8F3N/c1-6-4-7(10(11,12)13)5-9-8(6)2-3-14-9/h2-5,14H,1H3
InChIKeySAVVDZDBLITBHR-UHFFFAOYSA-N
MW199.18 g/mol
LogP3.50
Rot. Bonds

About 4-methyl-6-(trifluoromethyl)-1H-indole

4-methyl-6-(trifluoromethyl)-1H-indole (PubChem CID 70228775) has the molecular formula C10H8F3N and a molecular weight of 199.18 g/mol. Its IUPAC name is 4-methyl-6-(trifluoromethyl)-1H-indole.

Molecular Properties

Compound Name4-methyl-6-(trifluoromethyl)-1H-indole
PubChem CID70228775
Molecular FormulaC10H8F3N
Molecular Weight199.18 g/mol
Exact Mass199.06
IUPAC Name4-methyl-6-(trifluoromethyl)-1H-indole
SMILESCc1cc(C(F)(F)F)cc2[nH]ccc12
InChIInChI=1S/C10H8F3N/c1-6-4-7(10(11,12)13)5-9-8(6)2-3-14-9/h2-5,14H,1H3
InChIKeySAVVDZDBLITBHR-UHFFFAOYSA-N
XLogP3.50
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.18
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze 4-methyl-6-(trifluoromethyl)-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 4-methyl-6-(trifluoromethyl)-1H-indole?
The IUPAC name of 4-methyl-6-(trifluoromethyl)-1H-indole (CID 70228775) is 4-methyl-6-(trifluoromethyl)-1H-indole.
What is the SMILES notation for 4-methyl-6-(trifluoromethyl)-1H-indole?
The canonical SMILES for 4-methyl-6-(trifluoromethyl)-1H-indole is Cc1cc(C(F)(F)F)cc2[nH]ccc12.
What is the InChIKey of 4-methyl-6-(trifluoromethyl)-1H-indole?
The InChIKey is SAVVDZDBLITBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N/c1-6-4-7(10(11,12)13)5-9-8(6)2-3-14-9/h2-5,14H,1H3.
What are the key properties of 4-methyl-6-(trifluoromethyl)-1H-indole?
4-methyl-6-(trifluoromethyl)-1H-indole has a molecular weight of 199.18 g/mol, XLogP of 3.50, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(trifluoromethyl)-1H-indole is sourced from PubChem (CID 70228775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).