3-[5-(trifluoromethoxy)-1H-indol-3-yl]-1H-indole-5-carboxylic acid

C18H11F3N2O3 — CID 15949030

IUPAC3-[5-(trifluoromethoxy)-1H-indol-3-yl]-1H-indole-5-carboxylic acid
SMILESO=C(O)c1ccc2[nH]cc(-c3c[nH]c4ccc(OC(F)(F)F)cc34)c2c1
InChIInChI=1S/C18H11F3N2O3/c19-18(20,21)26-10-2-4-16-12(6-10)14(8-23-16)13-7-22-15-3-1-9(17(24)25)5-11(13)15/h1-8,22-23H,(H,24,25)
InChIKeyRFRZNEXLWRCNHE-UHFFFAOYSA-N
MW360.29 g/mol
LogP4.91
Rot. Bonds3

About 3-[5-(trifluoromethoxy)-1H-indol-3-yl]-1H-indole-5-carboxylic acid

3-[5-(trifluoromethoxy)-1H-indol-3-yl]-1H-indole-5-carboxylic acid (PubChem CID 15949030) has the molecular formula C18H11F3N2O3 and a molecular weight of 360.29 g/mol. Its IUPAC name is 3-[5-(trifluoromethoxy)-1H-indol-3-yl]-1H-indole-5-carboxylic acid.

Molecular Properties

Compound Name3-[5-(trifluoromethoxy)-1H-indol-3-yl]-1H-indole-5-carboxylic acid
PubChem CID15949030
Molecular FormulaC18H11F3N2O3
Molecular Weight360.29 g/mol
Exact Mass360.07
IUPAC Name3-[5-(trifluoromethoxy)-1H-indol-3-yl]-1H-indole-5-carboxylic acid
SMILESO=C(O)c1ccc2[nH]cc(-c3c[nH]c4ccc(OC(F)(F)F)cc34)c2c1
InChIInChI=1S/C18H11F3N2O3/c19-18(20,21)26-10-2-4-16-12(6-10)14(8-23-16)13-7-22-15-3-1-9(17(24)25)5-11(13)15/h1-8,22-23H,(H,24,25)
InChIKeyRFRZNEXLWRCNHE-UHFFFAOYSA-N
XLogP4.91
TPSA78.11 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.29
LogP ≤ 54.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 3-[5-(trifluoromethoxy)-1H-indol-3-yl]-1H-indole-5-carboxylic acid 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-Methoxyindoleacetic acid
CID 18986
5-Methoxytryptophan
CID 151018
Go 6983
CID 3499
Violacein
CID 11053
methyl 6-methoxy-9H-carbazole-3-carboxylate
CID 14804151
3-(5-methoxy-1H-indol-3-yl)propanoic acid
CID 181137
5-methoxy-3-[N-(4-(4-fluoro-phenyl)-4-oxo-butyl)-1,2,5,6-tetrahydro-pyridin-3-ylmethyl]-1H-indole
CID 9866050
5-Benzyloxyindole-3-acetic acid
CID 96340
3-Substituted indolin-2-one 9c
CID 5329136
2-{[2-(1H-indol-3-yl)ethyl]amino}-5-(trifluoromethoxy)benzoic acid
CID 164946664
Lycogarubin B
CID 11441783
4-(3-Isopropyl-1H-indol-5-yloxy)-3,5-bis-trifluoromethylphenylacetic acid
CID 9803551

Frequently Asked Questions

What is the IUPAC name of 3-[5-(trifluoromethoxy)-1H-indol-3-yl]-1H-indole-5-carboxylic acid?
The IUPAC name of 3-[5-(trifluoromethoxy)-1H-indol-3-yl]-1H-indole-5-carboxylic acid (CID 15949030) is 3-[5-(trifluoromethoxy)-1H-indol-3-yl]-1H-indole-5-carboxylic acid.
What is the SMILES notation for 3-[5-(trifluoromethoxy)-1H-indol-3-yl]-1H-indole-5-carboxylic acid?
The canonical SMILES for 3-[5-(trifluoromethoxy)-1H-indol-3-yl]-1H-indole-5-carboxylic acid is O=C(O)c1ccc2[nH]cc(-c3c[nH]c4ccc(OC(F)(F)F)cc34)c2c1.
What is the InChIKey of 3-[5-(trifluoromethoxy)-1H-indol-3-yl]-1H-indole-5-carboxylic acid?
The InChIKey is RFRZNEXLWRCNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N2O3/c19-18(20,21)26-10-2-4-16-12(6-10)14(8-23-16)13-7-22-15-3-1-9(17(24)25)5-11(13)15/h1-8,22-23H,(H,24,25).
What are the key properties of 3-[5-(trifluoromethoxy)-1H-indol-3-yl]-1H-indole-5-carboxylic acid?
3-[5-(trifluoromethoxy)-1H-indol-3-yl]-1H-indole-5-carboxylic acid has a molecular weight of 360.29 g/mol, XLogP of 4.91, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(trifluoromethoxy)-1H-indol-3-yl]-1H-indole-5-carboxylic acid is sourced from PubChem (CID 15949030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).