2-methoxy-3-methyl-7-(trifluoromethyl)-1H-indole

C11H10F3NO — CID 174564104

IUPAC2-methoxy-3-methyl-7-(trifluoromethyl)-1H-indole
SMILESCOc1[nH]c2c(C(F)(F)F)cccc2c1C
InChIInChI=1S/C11H10F3NO/c1-6-7-4-3-5-8(11(12,13)14)9(7)15-10(6)16-2/h3-5,15H,1-2H3
InChIKeyAJHZROZXBHSEJV-UHFFFAOYSA-N
MW229.20 g/mol
LogP3.50
Rot. Bonds1

About 2-methoxy-3-methyl-7-(trifluoromethyl)-1H-indole

2-methoxy-3-methyl-7-(trifluoromethyl)-1H-indole (PubChem CID 174564104) has the molecular formula C11H10F3NO and a molecular weight of 229.20 g/mol. Its IUPAC name is 2-methoxy-3-methyl-7-(trifluoromethyl)-1H-indole.

Molecular Properties

Compound Name2-methoxy-3-methyl-7-(trifluoromethyl)-1H-indole
PubChem CID174564104
Molecular FormulaC11H10F3NO
Molecular Weight229.20 g/mol
Exact Mass229.07
IUPAC Name2-methoxy-3-methyl-7-(trifluoromethyl)-1H-indole
SMILESCOc1[nH]c2c(C(F)(F)F)cccc2c1C
InChIInChI=1S/C11H10F3NO/c1-6-7-4-3-5-8(11(12,13)14)9(7)15-10(6)16-2/h3-5,15H,1-2H3
InChIKeyAJHZROZXBHSEJV-UHFFFAOYSA-N
XLogP3.50
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethyl 2-[3-methyl-7-(trifluoromethyl)-1H-indol-2-yl]-2-oxoacetate
CID 115072793
3-chloro-2-methyl-8-(trifluoromethyl)-1H-quinolin-4-one
CID 121236451
1-[4-methyl-2-sulfanylidene-8-(trifluoromethyl)-1H-quinolin-3-yl]butan-1-one
CID 142037150
3-chloro-7-(trifluoromethyl)-1H-indole-2-carboxylic acid
CID 68745449
4-methoxy-2-methyl-8-(trifluoromethyl)quinazolin-3-ium
CID 20674231
8-(trifluoromethyl)-1H-3,1-benzoxazine-2,4-dione
CID 12592798
4-methoxy-2-(4-methylphenyl)-8-(trifluoromethyl)quinoline
CID 20711982
2-(4-methylphenyl)-7-(trifluoromethyl)-1H-indole-3-carbaldehyde
CID 3505439
2-(2,3-dimethyl-1H-indol-7-yl)propan-2-ol
CID 117291884
2-methoxy-6-(trifluoromethyl)benzenethiol
CID 18417566
2-chloro-7-(trifluoromethyl)-1H-indole-3-carbaldehyde
CID 3715017
2-ethyl-8-methoxy-4-(trifluoromethyl)quinoline
CID 167216577

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-methyl-7-(trifluoromethyl)-1H-indole?
The IUPAC name of 2-methoxy-3-methyl-7-(trifluoromethyl)-1H-indole (CID 174564104) is 2-methoxy-3-methyl-7-(trifluoromethyl)-1H-indole.
What is the SMILES notation for 2-methoxy-3-methyl-7-(trifluoromethyl)-1H-indole?
The canonical SMILES for 2-methoxy-3-methyl-7-(trifluoromethyl)-1H-indole is COc1[nH]c2c(C(F)(F)F)cccc2c1C.
What is the InChIKey of 2-methoxy-3-methyl-7-(trifluoromethyl)-1H-indole?
The InChIKey is AJHZROZXBHSEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO/c1-6-7-4-3-5-8(11(12,13)14)9(7)15-10(6)16-2/h3-5,15H,1-2H3.
What are the key properties of 2-methoxy-3-methyl-7-(trifluoromethyl)-1H-indole?
2-methoxy-3-methyl-7-(trifluoromethyl)-1H-indole has a molecular weight of 229.20 g/mol, XLogP of 3.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-methyl-7-(trifluoromethyl)-1H-indole is sourced from PubChem (CID 174564104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).