6-chloro-3-[1,1,1-trifluoro-2-(1H-indol-3-yl)hexan-2-yl]-1H-indole

C22H20ClF3N2 — CID 176897884

IUPAC6-chloro-3-[1,1,1-trifluoro-2-(1H-indol-3-yl)hexan-2-yl]-1H-indole
SMILESCCCCC(c1c[nH]c2ccccc12)(c1c[nH]c2cc(Cl)ccc12)C(F)(F)F
InChIInChI=1S/C22H20ClF3N2/c1-2-3-10-21(22(24,25)26,17-12-27-19-7-5-4-6-15(17)19)18-13-28-20-11-14(23)8-9-16(18)20/h4-9,11-13,27-28H,2-3,10H2,1H3
InChIKeyJZOLFZJTCXCCEC-UHFFFAOYSA-N
MW404.86 g/mol
LogP7.34
Rot. Bonds5

About 6-chloro-3-[1,1,1-trifluoro-2-(1H-indol-3-yl)hexan-2-yl]-1H-indole

6-chloro-3-[1,1,1-trifluoro-2-(1H-indol-3-yl)hexan-2-yl]-1H-indole (PubChem CID 176897884) has the molecular formula C22H20ClF3N2 and a molecular weight of 404.86 g/mol. Its IUPAC name is 6-chloro-3-[1,1,1-trifluoro-2-(1H-indol-3-yl)hexan-2-yl]-1H-indole.

Molecular Properties

Compound Name6-chloro-3-[1,1,1-trifluoro-2-(1H-indol-3-yl)hexan-2-yl]-1H-indole
PubChem CID176897884
Molecular FormulaC22H20ClF3N2
Molecular Weight404.86 g/mol
Exact Mass404.13
IUPAC Name6-chloro-3-[1,1,1-trifluoro-2-(1H-indol-3-yl)hexan-2-yl]-1H-indole
SMILESCCCCC(c1c[nH]c2ccccc12)(c1c[nH]c2cc(Cl)ccc12)C(F)(F)F
InChIInChI=1S/C22H20ClF3N2/c1-2-3-10-21(22(24,25)26,17-12-27-19-7-5-4-6-15(17)19)18-13-28-20-11-14(23)8-9-16(18)20/h4-9,11-13,27-28H,2-3,10H2,1H3
InChIKeyJZOLFZJTCXCCEC-UHFFFAOYSA-N
XLogP7.34
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.86
LogP ≤ 57.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Analyze 6-chloro-3-[1,1,1-trifluoro-2-(1H-indol-3-yl)hexan-2-yl]-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-methyl-3-[1,1,1-trifluoro-2-(1H-indol-3-yl)hexan-2-yl]-1H-indole
CID 176897889
5-bromo-3-[1,1,1-trifluoro-2-(1H-indol-3-yl)hexan-2-yl]-1H-indole
CID 176897891
3-[1,1-bis(1H-indol-3-yl)butyl]-1H-indole
CID 20847832
3-(1,1-difluoropropyl)-1H-indole
CID 116841267
(1R)-1-(4-chlorophenyl)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethanol
CID 42624729
N-[2-(6-chloro-1H-indol-3-yl)-2-methylpropyl]butane-1-sulfonamide
CID 113084580
3-(2,2-dimethylhexyl)-1H-indole
CID 70819800
2-fluoro-2-(1H-indol-3-yl)propan-1-amine
CID 83853895
6-chloro-3-(2,2-dimethylpropyl)-1H-indole
CID 59153141
2,2-difluoro-2-(1H-indol-3-yl)ethanol
CID 116841147
2-chloro-9,10-di(pentadecoxy)anthracene
CID 139930219
2-chloro-9,10-di(tetradecoxy)anthracene
CID 139930208

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[1,1,1-trifluoro-2-(1H-indol-3-yl)hexan-2-yl]-1H-indole?
The IUPAC name of 6-chloro-3-[1,1,1-trifluoro-2-(1H-indol-3-yl)hexan-2-yl]-1H-indole (CID 176897884) is 6-chloro-3-[1,1,1-trifluoro-2-(1H-indol-3-yl)hexan-2-yl]-1H-indole.
What is the SMILES notation for 6-chloro-3-[1,1,1-trifluoro-2-(1H-indol-3-yl)hexan-2-yl]-1H-indole?
The canonical SMILES for 6-chloro-3-[1,1,1-trifluoro-2-(1H-indol-3-yl)hexan-2-yl]-1H-indole is CCCCC(c1c[nH]c2ccccc12)(c1c[nH]c2cc(Cl)ccc12)C(F)(F)F.
What is the InChIKey of 6-chloro-3-[1,1,1-trifluoro-2-(1H-indol-3-yl)hexan-2-yl]-1H-indole?
The InChIKey is JZOLFZJTCXCCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClF3N2/c1-2-3-10-21(22(24,25)26,17-12-27-19-7-5-4-6-15(17)19)18-13-28-20-11-14(23)8-9-16(18)20/h4-9,11-13,27-28H,2-3,10H2,1H3.
What are the key properties of 6-chloro-3-[1,1,1-trifluoro-2-(1H-indol-3-yl)hexan-2-yl]-1H-indole?
6-chloro-3-[1,1,1-trifluoro-2-(1H-indol-3-yl)hexan-2-yl]-1H-indole has a molecular weight of 404.86 g/mol, XLogP of 7.34, 5 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[1,1,1-trifluoro-2-(1H-indol-3-yl)hexan-2-yl]-1H-indole is sourced from PubChem (CID 176897884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).