2-(3-fluoro-4-methoxyphenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole

C16H13F4NO — CID 3910752

IUPAC2-(3-fluoro-4-methoxyphenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole
SMILESCOc1ccc(C2Cc3cc(C(F)(F)F)ccc3N2)cc1F
InChIInChI=1S/C16H13F4NO/c1-22-15-5-2-9(7-12(15)17)14-8-10-6-11(16(18,19)20)3-4-13(10)21-14/h2-7,14,21H,8H2,1H3
InChIKeyJMCQSQBGYZSLFG-UHFFFAOYSA-N
MW311.28 g/mol
LogP4.56
Rot. Bonds2

About 2-(3-fluoro-4-methoxyphenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole

2-(3-fluoro-4-methoxyphenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole (PubChem CID 3910752) has the molecular formula C16H13F4NO and a molecular weight of 311.28 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole
PubChem CID3910752
Molecular FormulaC16H13F4NO
Molecular Weight311.28 g/mol
Exact Mass311.09
IUPAC Name2-(3-fluoro-4-methoxyphenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole
SMILESCOc1ccc(C2Cc3cc(C(F)(F)F)ccc3N2)cc1F
InChIInChI=1S/C16H13F4NO/c1-22-15-5-2-9(7-12(15)17)14-8-10-6-11(16(18,19)20)3-4-13(10)21-14/h2-7,14,21H,8H2,1H3
InChIKeyJMCQSQBGYZSLFG-UHFFFAOYSA-N
XLogP4.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.28
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-fluoro-4-methoxyphenyl)-5-(trifluoromethyl)-2,3-dihydro-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

Related Compounds

2-(3,4-difluorophenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 5187034
2-(4-ethoxyphenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 4657850
(2S)-2-(4-methoxyphenyl)-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
CID 102598226
5-tert-butyl-2-(3,4-dimethylphenyl)-2,3-dihydro-1H-indole
CID 5037732
7-ethyl-2-(3-fluoro-4-methoxyphenyl)-2,3-dihydro-1H-indole
CID 3404384
3-(3-fluoro-4-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 116837206
4-(5,6-dimethoxy-2,3-dihydro-1H-indol-2-yl)aniline
CID 141058768
5-tert-butyl-2-(3-methylphenyl)-2,3-dihydro-1H-indole
CID 3872880
2-(4-methoxy-3-methylphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 3347331
5-tert-butyl-2-(2,5-difluorophenyl)-2,3-dihydro-1H-indole
CID 3893012
3-(3-fluoro-4-methoxyphenyl)azetidine
CID 82280860
N-[[2-methoxy-5-(trifluoromethyl)phenyl]methyl]cyclopropanamine
CID 134817377

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole (CID 3910752) is 2-(3-fluoro-4-methoxyphenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole is COc1ccc(C2Cc3cc(C(F)(F)F)ccc3N2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole?
The InChIKey is JMCQSQBGYZSLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F4NO/c1-22-15-5-2-9(7-12(15)17)14-8-10-6-11(16(18,19)20)3-4-13(10)21-14/h2-7,14,21H,8H2,1H3.
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole?
2-(3-fluoro-4-methoxyphenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole has a molecular weight of 311.28 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 3910752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).