5-tert-butyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole

C19H20F3N — CID 4984250

IUPAC5-tert-butyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole
SMILESCC(C)(C)c1ccc2c(c1)CC(c1ccc(C(F)(F)F)cc1)N2
InChIInChI=1S/C19H20F3N/c1-18(2,3)15-8-9-16-13(10-15)11-17(23-16)12-4-6-14(7-5-12)19(20,21)22/h4-10,17,23H,11H2,1-3H3
InChIKeyWLFNZYZYWIUWTH-UHFFFAOYSA-N
MW319.37 g/mol
LogP5.71
Rot. Bonds1

About 5-tert-butyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole

5-tert-butyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole (PubChem CID 4984250) has the molecular formula C19H20F3N and a molecular weight of 319.37 g/mol. Its IUPAC name is 5-tert-butyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-tert-butyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole
PubChem CID4984250
Molecular FormulaC19H20F3N
Molecular Weight319.37 g/mol
Exact Mass319.15
IUPAC Name5-tert-butyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole
SMILESCC(C)(C)c1ccc2c(c1)CC(c1ccc(C(F)(F)F)cc1)N2
InChIInChI=1S/C19H20F3N/c1-18(2,3)15-8-9-16-13(10-15)11-17(23-16)12-4-6-14(7-5-12)19(20,21)22/h4-10,17,23H,11H2,1-3H3
InChIKeyWLFNZYZYWIUWTH-UHFFFAOYSA-N
XLogP5.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.37
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-tert-butyl-2-[4-(trifluoromethyl)phenyl]-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

5-tert-butyl-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indole
CID 5176220
5-tert-butyl-2-(3,4-dimethylphenyl)-2,3-dihydro-1H-indole
CID 5037732
2-(4-ethoxyphenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 4657850
2-(3,4-difluorophenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 5187034
5-tert-butyl-2-(3-methylphenyl)-2,3-dihydro-1H-indole
CID 3872880
2-(4-tert-butylphenyl)-5-ethyl-2,3-dihydro-1H-indole
CID 5134941
2-(3-fluoro-4-methoxyphenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 3910752
5-tert-butyl-2-(2,5-difluorophenyl)-2,3-dihydro-1H-indole
CID 3893012
5-tert-butyl-2-(5-methylthiophen-2-yl)-2,3-dihydro-1H-indole
CID 3533032
5-tert-butyl-2-(2,4-dimethylphenyl)-2,3-dihydro-1H-indole
CID 3879014
(2S)-2-(4-methoxyphenyl)-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
CID 102598226
2-(4-hydroxyphenyl)-2,3-dihydro-1H-indol-5-ol
CID 84691197

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole?
The IUPAC name of 5-tert-butyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole (CID 4984250) is 5-tert-butyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-tert-butyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole?
The canonical SMILES for 5-tert-butyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole is CC(C)(C)c1ccc2c(c1)CC(c1ccc(C(F)(F)F)cc1)N2.
What is the InChIKey of 5-tert-butyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole?
The InChIKey is WLFNZYZYWIUWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N/c1-18(2,3)15-8-9-16-13(10-15)11-17(23-16)12-4-6-14(7-5-12)19(20,21)22/h4-10,17,23H,11H2,1-3H3.
What are the key properties of 5-tert-butyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole?
5-tert-butyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole has a molecular weight of 319.37 g/mol, XLogP of 5.71, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole is sourced from PubChem (CID 4984250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).