3-[5,7-dimethyl-2-(trifluoromethyl)-1H-indol-3-yl]propanoic acid

C14H14F3NO2 — CID 84643492

IUPAC3-[5,7-dimethyl-2-(trifluoromethyl)-1H-indol-3-yl]propanoic acid
SMILESCc1cc(C)c2[nH]c(C(F)(F)F)c(CCC(=O)O)c2c1
InChIInChI=1S/C14H14F3NO2/c1-7-5-8(2)12-10(6-7)9(3-4-11(19)20)13(18-12)14(15,16)17/h5-6,18H,3-4H2,1-2H3,(H,19,20)
InChIKeyGVUPPFWSYFMAND-UHFFFAOYSA-N
MW285.26 g/mol
LogP3.82
Rot. Bonds3

About 3-[5,7-dimethyl-2-(trifluoromethyl)-1H-indol-3-yl]propanoic acid

3-[5,7-dimethyl-2-(trifluoromethyl)-1H-indol-3-yl]propanoic acid (PubChem CID 84643492) has the molecular formula C14H14F3NO2 and a molecular weight of 285.26 g/mol. Its IUPAC name is 3-[5,7-dimethyl-2-(trifluoromethyl)-1H-indol-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[5,7-dimethyl-2-(trifluoromethyl)-1H-indol-3-yl]propanoic acid
PubChem CID84643492
Molecular FormulaC14H14F3NO2
Molecular Weight285.26 g/mol
Exact Mass285.10
IUPAC Name3-[5,7-dimethyl-2-(trifluoromethyl)-1H-indol-3-yl]propanoic acid
SMILESCc1cc(C)c2[nH]c(C(F)(F)F)c(CCC(=O)O)c2c1
InChIInChI=1S/C14H14F3NO2/c1-7-5-8(2)12-10(6-7)9(3-4-11(19)20)13(18-12)14(15,16)17/h5-6,18H,3-4H2,1-2H3,(H,19,20)
InChIKeyGVUPPFWSYFMAND-UHFFFAOYSA-N
XLogP3.82
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 3-[5,7-dimethyl-2-(trifluoromethyl)-1H-indol-3-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

Related Compounds

7-methoxy-5-methyl-2-(trifluoromethyl)-1H-indole-3-carboxylic acid
CID 84641803
2-(4,6,8-trimethyl-2-oxo-1H-quinolin-3-yl)acetic acid
CID 84631831
2-[5,7-dimethyl-2-(4-methylphenyl)-1H-indol-3-yl]acetic acid
CID 4569862
3-[2,6-difluoro-3-(2-fluoro-4,6-dimethylphenyl)-5-(trifluoromethyl)phenyl]propanoic acid
CID 167131153
5,7-dimethyl-3-(2,2,2-trifluoroacetyl)-1H-indole-2-carboxylic acid
CID 84643469
4-ethyl-6,8-dimethyl-2-oxo-1H-quinoline-3-carboxylic acid
CID 84631832
2-[2-(2,4-difluorophenyl)-5,7-dimethyl-1H-indol-3-yl]acetic acid
CID 5123254
3-[5-methyl-2-(trifluoromethyl)-1H-indol-3-yl]propan-1-ol
CID 84636463
2,2,2-trifluoro-1-[7-fluoro-5-methyl-2-(trifluoromethyl)-1H-indol-3-yl]ethanone
CID 130395850
2-[2-(4-ethylphenyl)-5,7-dimethyl-1H-indol-3-yl]acetic acid
CID 5217897
3-(1,4,6-trimethyl-2-oxo-3-pyridinyl)propanoic acid
CID 82526228
3-[2-(4-fluorophenyl)-7-methyl-1H-indol-3-yl]propanoic acid
CID 171921907

Frequently Asked Questions

What is the IUPAC name of 3-[5,7-dimethyl-2-(trifluoromethyl)-1H-indol-3-yl]propanoic acid?
The IUPAC name of 3-[5,7-dimethyl-2-(trifluoromethyl)-1H-indol-3-yl]propanoic acid (CID 84643492) is 3-[5,7-dimethyl-2-(trifluoromethyl)-1H-indol-3-yl]propanoic acid.
What is the SMILES notation for 3-[5,7-dimethyl-2-(trifluoromethyl)-1H-indol-3-yl]propanoic acid?
The canonical SMILES for 3-[5,7-dimethyl-2-(trifluoromethyl)-1H-indol-3-yl]propanoic acid is Cc1cc(C)c2[nH]c(C(F)(F)F)c(CCC(=O)O)c2c1.
What is the InChIKey of 3-[5,7-dimethyl-2-(trifluoromethyl)-1H-indol-3-yl]propanoic acid?
The InChIKey is GVUPPFWSYFMAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO2/c1-7-5-8(2)12-10(6-7)9(3-4-11(19)20)13(18-12)14(15,16)17/h5-6,18H,3-4H2,1-2H3,(H,19,20).
What are the key properties of 3-[5,7-dimethyl-2-(trifluoromethyl)-1H-indol-3-yl]propanoic acid?
3-[5,7-dimethyl-2-(trifluoromethyl)-1H-indol-3-yl]propanoic acid has a molecular weight of 285.26 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5,7-dimethyl-2-(trifluoromethyl)-1H-indol-3-yl]propanoic acid is sourced from PubChem (CID 84643492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).