1-(2,2,2-trifluoroethyl)indole-6-carboxylic acid

C11H8F3NO2 — CID 63936802

IUPAC1-(2,2,2-trifluoroethyl)indole-6-carboxylic acid
SMILESO=C(O)c1ccc2ccn(CC(F)(F)F)c2c1
InChIInChI=1S/C11H8F3NO2/c12-11(13,14)6-15-4-3-7-1-2-8(10(16)17)5-9(7)15/h1-5H,6H2,(H,16,17)
InChIKeyIZBZKAJLUXCXFD-UHFFFAOYSA-N
MW243.18 g/mol
LogP2.90
Rot. Bonds2

About 1-(2,2,2-trifluoroethyl)indole-6-carboxylic acid

1-(2,2,2-trifluoroethyl)indole-6-carboxylic acid (PubChem CID 63936802) has the molecular formula C11H8F3NO2 and a molecular weight of 243.18 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethyl)indole-6-carboxylic acid.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethyl)indole-6-carboxylic acid
PubChem CID63936802
Molecular FormulaC11H8F3NO2
Molecular Weight243.18 g/mol
Exact Mass243.05
IUPAC Name1-(2,2,2-trifluoroethyl)indole-6-carboxylic acid
SMILESO=C(O)c1ccc2ccn(CC(F)(F)F)c2c1
InChIInChI=1S/C11H8F3NO2/c12-11(13,14)6-15-4-3-7-1-2-8(10(16)17)5-9(7)15/h1-5H,6H2,(H,16,17)
InChIKeyIZBZKAJLUXCXFD-UHFFFAOYSA-N
XLogP2.90
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.18
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,2,2-trifluoroethyl)indole-6-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

1-(carboxymethyl)indole-6-carboxylic acid
CID 83948256
1-(2-amino-2-oxoethyl)indole-6-carboxylic acid
CID 24720961
1-(3-aminopropyl)indole-6-carboxylic acid
CID 83946639
1-but-3-ynylindole-6-carboxylic acid
CID 63750392
1-[2-(2-hydroxyethoxy)ethyl]indole-6-carboxylic acid
CID 63748417
1-[(5-chloro-2-fluorophenyl)methyl]indole-6-carboxylic acid
CID 103047013
1-(2-propan-2-ylsulfonylethyl)indole-6-carboxylic acid
CID 106716870
1-(2,2,2-trifluoroethyl)indazole-6-carboxylic acid
CID 91811858
1-pent-3-ynylindole-6-carboxylic acid
CID 104808364
1-[2-(2-oxo-1-pyridinyl)ethyl]indole-6-carboxylic acid
CID 82899150
1-(2-methylpentyl)indole-6-carboxylic acid
CID 55229260
1-[2-(2-methylimidazol-1-yl)ethyl]indole-6-carboxylic acid
CID 63749665

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethyl)indole-6-carboxylic acid?
The IUPAC name of 1-(2,2,2-trifluoroethyl)indole-6-carboxylic acid (CID 63936802) is 1-(2,2,2-trifluoroethyl)indole-6-carboxylic acid.
What is the SMILES notation for 1-(2,2,2-trifluoroethyl)indole-6-carboxylic acid?
The canonical SMILES for 1-(2,2,2-trifluoroethyl)indole-6-carboxylic acid is O=C(O)c1ccc2ccn(CC(F)(F)F)c2c1.
What is the InChIKey of 1-(2,2,2-trifluoroethyl)indole-6-carboxylic acid?
The InChIKey is IZBZKAJLUXCXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NO2/c12-11(13,14)6-15-4-3-7-1-2-8(10(16)17)5-9(7)15/h1-5H,6H2,(H,16,17).
What are the key properties of 1-(2,2,2-trifluoroethyl)indole-6-carboxylic acid?
1-(2,2,2-trifluoroethyl)indole-6-carboxylic acid has a molecular weight of 243.18 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethyl)indole-6-carboxylic acid is sourced from PubChem (CID 63936802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).