5-methyl-2-(trifluoromethyl)-1H-indole

C10H8F3N — CID 83485208

IUPAC5-methyl-2-(trifluoromethyl)-1H-indole
SMILESCc1ccc2[nH]c(C(F)(F)F)cc2c1
InChIInChI=1S/C10H8F3N/c1-6-2-3-8-7(4-6)5-9(14-8)10(11,12)13/h2-5,14H,1H3
InChIKeyADQKEFOKYLYTDZ-UHFFFAOYSA-N
MW199.17 g/mol
LogP3.50
Rot. Bonds

About 5-methyl-2-(trifluoromethyl)-1H-indole

5-methyl-2-(trifluoromethyl)-1H-indole (PubChem CID 83485208) has the molecular formula C10H8F3N and a molecular weight of 199.17 g/mol. Its IUPAC name is 5-methyl-2-(trifluoromethyl)-1H-indole.

Molecular Properties

Compound Name5-methyl-2-(trifluoromethyl)-1H-indole
PubChem CID83485208
Molecular FormulaC10H8F3N
Molecular Weight199.17 g/mol
Exact Mass199.06
IUPAC Name5-methyl-2-(trifluoromethyl)-1H-indole
SMILESCc1ccc2[nH]c(C(F)(F)F)cc2c1
InChIInChI=1S/C10H8F3N/c1-6-2-3-8-7(4-6)5-9(14-8)10(11,12)13/h2-5,14H,1H3
InChIKeyADQKEFOKYLYTDZ-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 ≤ 500199.17
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(trifluoromethyl)-1H-indole?
The IUPAC name of 5-methyl-2-(trifluoromethyl)-1H-indole (CID 83485208) is 5-methyl-2-(trifluoromethyl)-1H-indole.
What is the SMILES notation for 5-methyl-2-(trifluoromethyl)-1H-indole?
The canonical SMILES for 5-methyl-2-(trifluoromethyl)-1H-indole is Cc1ccc2[nH]c(C(F)(F)F)cc2c1.
What is the InChIKey of 5-methyl-2-(trifluoromethyl)-1H-indole?
The InChIKey is ADQKEFOKYLYTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N/c1-6-2-3-8-7(4-6)5-9(14-8)10(11,12)13/h2-5,14H,1H3.
What are the key properties of 5-methyl-2-(trifluoromethyl)-1H-indole?
5-methyl-2-(trifluoromethyl)-1H-indole has a molecular weight of 199.17 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 5-methyl-2-(trifluoromethyl)-1H-indole is sourced from PubChem (CID 83485208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).