2-methyl-2-[6-(trifluoromethyl)-1H-indol-2-yl]propanoic acid

C13H12F3NO2 — CID 117195778

IUPAC2-methyl-2-[6-(trifluoromethyl)-1H-indol-2-yl]propanoic acid
SMILESCC(C)(C(=O)O)c1cc2ccc(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C13H12F3NO2/c1-12(2,11(18)19)10-5-7-3-4-8(13(14,15)16)6-9(7)17-10/h3-6,17H,1-2H3,(H,18,19)
InChIKeyYECHXXJEQSEXTO-UHFFFAOYSA-N
MW271.24 g/mol
LogP3.55
Rot. Bonds2

About 2-methyl-2-[6-(trifluoromethyl)-1H-indol-2-yl]propanoic acid

2-methyl-2-[6-(trifluoromethyl)-1H-indol-2-yl]propanoic acid (PubChem CID 117195778) has the molecular formula C13H12F3NO2 and a molecular weight of 271.24 g/mol. Its IUPAC name is 2-methyl-2-[6-(trifluoromethyl)-1H-indol-2-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[6-(trifluoromethyl)-1H-indol-2-yl]propanoic acid
PubChem CID117195778
Molecular FormulaC13H12F3NO2
Molecular Weight271.24 g/mol
Exact Mass271.08
IUPAC Name2-methyl-2-[6-(trifluoromethyl)-1H-indol-2-yl]propanoic acid
SMILESCC(C)(C(=O)O)c1cc2ccc(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C13H12F3NO2/c1-12(2,11(18)19)10-5-7-3-4-8(13(14,15)16)6-9(7)17-10/h3-6,17H,1-2H3,(H,18,19)
InChIKeyYECHXXJEQSEXTO-UHFFFAOYSA-N
XLogP3.55
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 2-methyl-2-[6-(trifluoromethyl)-1H-indol-2-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[6-(trifluoromethyl)-1H-indol-2-yl]propanoic acid?
The IUPAC name of 2-methyl-2-[6-(trifluoromethyl)-1H-indol-2-yl]propanoic acid (CID 117195778) is 2-methyl-2-[6-(trifluoromethyl)-1H-indol-2-yl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[6-(trifluoromethyl)-1H-indol-2-yl]propanoic acid?
The canonical SMILES for 2-methyl-2-[6-(trifluoromethyl)-1H-indol-2-yl]propanoic acid is CC(C)(C(=O)O)c1cc2ccc(C(F)(F)F)cc2[nH]1.
What is the InChIKey of 2-methyl-2-[6-(trifluoromethyl)-1H-indol-2-yl]propanoic acid?
The InChIKey is YECHXXJEQSEXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO2/c1-12(2,11(18)19)10-5-7-3-4-8(13(14,15)16)6-9(7)17-10/h3-6,17H,1-2H3,(H,18,19).
What are the key properties of 2-methyl-2-[6-(trifluoromethyl)-1H-indol-2-yl]propanoic acid?
2-methyl-2-[6-(trifluoromethyl)-1H-indol-2-yl]propanoic acid has a molecular weight of 271.24 g/mol, XLogP of 3.55, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[6-(trifluoromethyl)-1H-indol-2-yl]propanoic acid is sourced from PubChem (CID 117195778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).