5-methoxy-2-methyl-6-(trifluoromethyl)-2,3-dihydro-1H-indole

C11H12F3NO — CID 84694331

IUPAC5-methoxy-2-methyl-6-(trifluoromethyl)-2,3-dihydro-1H-indole
SMILESCOc1cc2c(cc1C(F)(F)F)NC(C)C2
InChIInChI=1S/C11H12F3NO/c1-6-3-7-4-10(16-2)8(11(12,13)14)5-9(7)15-6/h4-6,15H,3H2,1-2H3
InChIKeyUHZCFXXCEDEIDL-UHFFFAOYSA-N
MW231.22 g/mol
LogP3.07
Rot. Bonds1

About 5-methoxy-2-methyl-6-(trifluoromethyl)-2,3-dihydro-1H-indole

5-methoxy-2-methyl-6-(trifluoromethyl)-2,3-dihydro-1H-indole (PubChem CID 84694331) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is 5-methoxy-2-methyl-6-(trifluoromethyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-methoxy-2-methyl-6-(trifluoromethyl)-2,3-dihydro-1H-indole
PubChem CID84694331
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Name5-methoxy-2-methyl-6-(trifluoromethyl)-2,3-dihydro-1H-indole
SMILESCOc1cc2c(cc1C(F)(F)F)NC(C)C2
InChIInChI=1S/C11H12F3NO/c1-6-3-7-4-10(16-2)8(11(12,13)14)5-9(7)15-6/h4-6,15H,3H2,1-2H3
InChIKeyUHZCFXXCEDEIDL-UHFFFAOYSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

ethane;6-fluoro-5-methoxy-2-methyl-2,3-dihydro-1H-indole
CID 145147315
(2S)-5-methoxy-2-methyl-6-nitro-2,3-dihydro-1H-indole;hydrochloride
CID 67316649
2,8-dimethyl-7-(trifluoromethyl)-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one
CID 130295696
1-methoxy-5-methyl-2,4-bis(trifluoromethyl)benzene
CID 135743171
3-[4-methoxy-3-(trifluoromethyl)phenyl]pyrrolidine
CID 84705043
2-[3-methoxy-4-(trifluoromethyl)phenyl]azetidine
CID 130043562
1-bromo-2,4-dimethoxy-5-(trifluoromethyl)benzene
CID 131371239
5-methoxy-2,4-bis(trifluoromethyl)aniline
CID 134640552
S-(5-fluoro-2-methyl-2,3-dihydro-1H-indol-6-yl)thiohydroxylamine
CID 170593348
3-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]pyrrolidine
CID 117439944
3-ethenyl-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroquinoline
CID 102338901
6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroquinoxaline
CID 79014891

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-methyl-6-(trifluoromethyl)-2,3-dihydro-1H-indole?
The IUPAC name of 5-methoxy-2-methyl-6-(trifluoromethyl)-2,3-dihydro-1H-indole (CID 84694331) is 5-methoxy-2-methyl-6-(trifluoromethyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-methoxy-2-methyl-6-(trifluoromethyl)-2,3-dihydro-1H-indole?
The canonical SMILES for 5-methoxy-2-methyl-6-(trifluoromethyl)-2,3-dihydro-1H-indole is COc1cc2c(cc1C(F)(F)F)NC(C)C2.
What is the InChIKey of 5-methoxy-2-methyl-6-(trifluoromethyl)-2,3-dihydro-1H-indole?
The InChIKey is UHZCFXXCEDEIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO/c1-6-3-7-4-10(16-2)8(11(12,13)14)5-9(7)15-6/h4-6,15H,3H2,1-2H3.
What are the key properties of 5-methoxy-2-methyl-6-(trifluoromethyl)-2,3-dihydro-1H-indole?
5-methoxy-2-methyl-6-(trifluoromethyl)-2,3-dihydro-1H-indole has a molecular weight of 231.22 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-methyl-6-(trifluoromethyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 84694331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).