1-(3,5-dimethoxyphenyl)-6-(trifluoromethyl)-2,3-dihydroindole

C17H16F3NO2 — CID 174937157

IUPAC1-(3,5-dimethoxyphenyl)-6-(trifluoromethyl)-2,3-dihydroindole
SMILESCOc1cc(OC)cc(N2CCc3ccc(C(F)(F)F)cc32)c1
InChIInChI=1S/C17H16F3NO2/c1-22-14-8-13(9-15(10-14)23-2)21-6-5-11-3-4-12(7-16(11)21)17(18,19)20/h3-4,7-10H,5-6H2,1-2H3
InChIKeyPOSQPKOLMUSYGE-UHFFFAOYSA-N
MW323.31 g/mol
LogP4.42
Rot. Bonds3

About 1-(3,5-dimethoxyphenyl)-6-(trifluoromethyl)-2,3-dihydroindole

1-(3,5-dimethoxyphenyl)-6-(trifluoromethyl)-2,3-dihydroindole (PubChem CID 174937157) has the molecular formula C17H16F3NO2 and a molecular weight of 323.31 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-6-(trifluoromethyl)-2,3-dihydroindole.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-6-(trifluoromethyl)-2,3-dihydroindole
PubChem CID174937157
Molecular FormulaC17H16F3NO2
Molecular Weight323.31 g/mol
Exact Mass323.11
IUPAC Name1-(3,5-dimethoxyphenyl)-6-(trifluoromethyl)-2,3-dihydroindole
SMILESCOc1cc(OC)cc(N2CCc3ccc(C(F)(F)F)cc32)c1
InChIInChI=1S/C17H16F3NO2/c1-22-14-8-13(9-15(10-14)23-2)21-6-5-11-3-4-12(7-16(11)21)17(18,19)20/h3-4,7-10H,5-6H2,1-2H3
InChIKeyPOSQPKOLMUSYGE-UHFFFAOYSA-N
XLogP4.42
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3,5-dimethoxyphenyl)-6-(trifluoromethyl)-2,3-dihydroindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1,3-bis(3,5-dimethoxyphenyl)imidazolidin-2-ylidene]-1,3-bis(3,5-dimethoxyphenyl)imidazolidine
CID 118136283
ethane;1-ethyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline
CID 143643900
ethane;1-ethyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline
CID 143643842
[2-(6-fluoro-2,3-dihydroindol-1-yl)-4-methoxyphenyl]methanamine
CID 103494040
2-(4-chlorophenyl)-2-[3-(2-hydroxyethoxy)-5-methoxyanilino]-1-[6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone
CID 131964279
2-(2,3-dihydroindol-1-yl)-5-(trifluoromethyl)aniline;hydrochloride
CID 12519123
7-methoxy-1,2-dimethyl-3,4-dihydrocinnoline
CID 58095808
2-(4-tert-butylphenyl)-6-methoxy-3,4-dihydroisoquinolin-1-one
CID 118184867
tert-butyl 7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 57366402
1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-6-methoxy-3,4-dihydro-2H-quinoline
CID 18125897
1-[2,4-bis(trifluoromethyl)phenyl]-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridine
CID 141103319
propan-2-yl 7-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 141019708

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-6-(trifluoromethyl)-2,3-dihydroindole?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-6-(trifluoromethyl)-2,3-dihydroindole (CID 174937157) is 1-(3,5-dimethoxyphenyl)-6-(trifluoromethyl)-2,3-dihydroindole.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-6-(trifluoromethyl)-2,3-dihydroindole?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-6-(trifluoromethyl)-2,3-dihydroindole is COc1cc(OC)cc(N2CCc3ccc(C(F)(F)F)cc32)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-6-(trifluoromethyl)-2,3-dihydroindole?
The InChIKey is POSQPKOLMUSYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO2/c1-22-14-8-13(9-15(10-14)23-2)21-6-5-11-3-4-12(7-16(11)21)17(18,19)20/h3-4,7-10H,5-6H2,1-2H3.
What are the key properties of 1-(3,5-dimethoxyphenyl)-6-(trifluoromethyl)-2,3-dihydroindole?
1-(3,5-dimethoxyphenyl)-6-(trifluoromethyl)-2,3-dihydroindole has a molecular weight of 323.31 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-6-(trifluoromethyl)-2,3-dihydroindole is sourced from PubChem (CID 174937157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).