2-[1-[4-[3-(trifluoromethyl)phenyl]phenyl]indol-3-yl]acetic acid

C23H16F3NO2 — CID 25106245

IUPAC2-[1-[4-[3-(trifluoromethyl)phenyl]phenyl]indol-3-yl]acetic acid
SMILESO=C(O)Cc1cn(-c2ccc(-c3cccc(C(F)(F)F)c3)cc2)c2ccccc12
InChIInChI=1S/C23H16F3NO2/c24-23(25,26)18-5-3-4-16(12-18)15-8-10-19(11-9-15)27-14-17(13-22(28)29)20-6-1-2-7-21(20)27/h1-12,14H,13H2,(H,28,29)
InChIKeyJVJJDECSKYERIR-UHFFFAOYSA-N
MW395.38 g/mol
LogP5.94
Rot. Bonds4

About 2-[1-[4-[3-(trifluoromethyl)phenyl]phenyl]indol-3-yl]acetic acid

2-[1-[4-[3-(trifluoromethyl)phenyl]phenyl]indol-3-yl]acetic acid (PubChem CID 25106245) has the molecular formula C23H16F3NO2 and a molecular weight of 395.38 g/mol. Its IUPAC name is 2-[1-[4-[3-(trifluoromethyl)phenyl]phenyl]indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[4-[3-(trifluoromethyl)phenyl]phenyl]indol-3-yl]acetic acid
PubChem CID25106245
Molecular FormulaC23H16F3NO2
Molecular Weight395.38 g/mol
Exact Mass395.11
IUPAC Name2-[1-[4-[3-(trifluoromethyl)phenyl]phenyl]indol-3-yl]acetic acid
SMILESO=C(O)Cc1cn(-c2ccc(-c3cccc(C(F)(F)F)c3)cc2)c2ccccc12
InChIInChI=1S/C23H16F3NO2/c24-23(25,26)18-5-3-4-16(12-18)15-8-10-19(11-9-15)27-14-17(13-22(28)29)20-6-1-2-7-21(20)27/h1-12,14H,13H2,(H,28,29)
InChIKeyJVJJDECSKYERIR-UHFFFAOYSA-N
XLogP5.94
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.38
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[1-[4-[3-(trifluoromethyl)phenyl]phenyl]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

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-[3-(trifluoromethyl)phenyl]phenyl]indol-3-yl]acetic acid?
The IUPAC name of 2-[1-[4-[3-(trifluoromethyl)phenyl]phenyl]indol-3-yl]acetic acid (CID 25106245) is 2-[1-[4-[3-(trifluoromethyl)phenyl]phenyl]indol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[4-[3-(trifluoromethyl)phenyl]phenyl]indol-3-yl]acetic acid?
The canonical SMILES for 2-[1-[4-[3-(trifluoromethyl)phenyl]phenyl]indol-3-yl]acetic acid is O=C(O)Cc1cn(-c2ccc(-c3cccc(C(F)(F)F)c3)cc2)c2ccccc12.
What is the InChIKey of 2-[1-[4-[3-(trifluoromethyl)phenyl]phenyl]indol-3-yl]acetic acid?
The InChIKey is JVJJDECSKYERIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3NO2/c24-23(25,26)18-5-3-4-16(12-18)15-8-10-19(11-9-15)27-14-17(13-22(28)29)20-6-1-2-7-21(20)27/h1-12,14H,13H2,(H,28,29).
What are the key properties of 2-[1-[4-[3-(trifluoromethyl)phenyl]phenyl]indol-3-yl]acetic acid?
2-[1-[4-[3-(trifluoromethyl)phenyl]phenyl]indol-3-yl]acetic acid has a molecular weight of 395.38 g/mol, XLogP of 5.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-[3-(trifluoromethyl)phenyl]phenyl]indol-3-yl]acetic acid is sourced from PubChem (CID 25106245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).