2-[1,5,7-trimethyl-2-(trifluoromethyl)indol-3-yl]acetic acid

C14H14F3NO2 — CID 84643491

IUPAC2-[1,5,7-trimethyl-2-(trifluoromethyl)indol-3-yl]acetic acid
SMILESCc1cc(C)c2c(c1)c(CC(=O)O)c(C(F)(F)F)n2C
InChIInChI=1S/C14H14F3NO2/c1-7-4-8(2)12-9(5-7)10(6-11(19)20)13(18(12)3)14(15,16)17/h4-5H,6H2,1-3H3,(H,19,20)
InChIKeyDJWCWQPYEOLFAK-UHFFFAOYSA-N
MW285.26 g/mol
LogP3.44
Rot. Bonds2

About 2-[1,5,7-trimethyl-2-(trifluoromethyl)indol-3-yl]acetic acid

2-[1,5,7-trimethyl-2-(trifluoromethyl)indol-3-yl]acetic acid (PubChem CID 84643491) has the molecular formula C14H14F3NO2 and a molecular weight of 285.26 g/mol. Its IUPAC name is 2-[1,5,7-trimethyl-2-(trifluoromethyl)indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1,5,7-trimethyl-2-(trifluoromethyl)indol-3-yl]acetic acid
PubChem CID84643491
Molecular FormulaC14H14F3NO2
Molecular Weight285.26 g/mol
Exact Mass285.10
IUPAC Name2-[1,5,7-trimethyl-2-(trifluoromethyl)indol-3-yl]acetic acid
SMILESCc1cc(C)c2c(c1)c(CC(=O)O)c(C(F)(F)F)n2C
InChIInChI=1S/C14H14F3NO2/c1-7-4-8(2)12-9(5-7)10(6-11(19)20)13(18(12)3)14(15,16)17/h4-5H,6H2,1-3H3,(H,19,20)
InChIKeyDJWCWQPYEOLFAK-UHFFFAOYSA-N
XLogP3.44
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[1,5,7-trimethyl-2-(trifluoromethyl)indol-3-yl]acetic 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

3-bromo-1,5,7-trimethyl-2-(trifluoromethyl)indole
CID 84644830
2-(2-chloro-4,6-dimethylphenyl)acetic acid
CID 59141966
4-ethyl-1,6,8-trimethyl-2-oxoquinoline-3-carboxylic acid
CID 84637695
2-(6-chloro-1,2,8-trimethyl-4-oxoquinolin-3-yl)acetic acid
CID 82248913
2-[2,6-diethyl-4-(trifluoromethyl)phenyl]acetic acid
CID 66707586
2-[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]acetic acid
CID 82527752
3-[5,7-dimethyl-2-(trifluoromethyl)-1H-indol-3-yl]propanoic acid
CID 84643492
2-[5,7-dimethyl-2-(4-methylphenyl)-1H-indol-3-yl]acetic acid
CID 4569862
2-(4,6,8-trimethyl-2-oxo-1H-quinolin-3-yl)acetic acid
CID 84631831
2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetic acid
CID 137459361
2-(1,2,6-trimethylindol-3-yl)acetic acid
CID 82493301
3,3-difluoro-3-(2,4,6-trimethylphenyl)propanoic acid
CID 116838349

Frequently Asked Questions

What is the IUPAC name of 2-[1,5,7-trimethyl-2-(trifluoromethyl)indol-3-yl]acetic acid?
The IUPAC name of 2-[1,5,7-trimethyl-2-(trifluoromethyl)indol-3-yl]acetic acid (CID 84643491) is 2-[1,5,7-trimethyl-2-(trifluoromethyl)indol-3-yl]acetic acid.
What is the SMILES notation for 2-[1,5,7-trimethyl-2-(trifluoromethyl)indol-3-yl]acetic acid?
The canonical SMILES for 2-[1,5,7-trimethyl-2-(trifluoromethyl)indol-3-yl]acetic acid is Cc1cc(C)c2c(c1)c(CC(=O)O)c(C(F)(F)F)n2C.
What is the InChIKey of 2-[1,5,7-trimethyl-2-(trifluoromethyl)indol-3-yl]acetic acid?
The InChIKey is DJWCWQPYEOLFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO2/c1-7-4-8(2)12-9(5-7)10(6-11(19)20)13(18(12)3)14(15,16)17/h4-5H,6H2,1-3H3,(H,19,20).
What are the key properties of 2-[1,5,7-trimethyl-2-(trifluoromethyl)indol-3-yl]acetic acid?
2-[1,5,7-trimethyl-2-(trifluoromethyl)indol-3-yl]acetic acid has a molecular weight of 285.26 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,5,7-trimethyl-2-(trifluoromethyl)indol-3-yl]acetic acid is sourced from PubChem (CID 84643491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).