1-hydroxy-5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindole-2-carboxylic acid

C16H12F3NO3 — CID 174666725

IUPAC1-hydroxy-5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindole-2-carboxylic acid
SMILESO=C(O)C1Cc2cc(-c3ccc(C(F)(F)F)cc3)ccc2N1O
InChIInChI=1S/C16H12F3NO3/c17-16(18,19)12-4-1-9(2-5-12)10-3-6-13-11(7-10)8-14(15(21)22)20(13)23/h1-7,14,23H,8H2,(H,21,22)
InChIKeyHUXRARHACVNXEU-UHFFFAOYSA-N
MW323.27 g/mol
LogP3.58
Rot. Bonds2

About 1-hydroxy-5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindole-2-carboxylic acid

1-hydroxy-5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindole-2-carboxylic acid (PubChem CID 174666725) has the molecular formula C16H12F3NO3 and a molecular weight of 323.27 g/mol. Its IUPAC name is 1-hydroxy-5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name1-hydroxy-5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindole-2-carboxylic acid
PubChem CID174666725
Molecular FormulaC16H12F3NO3
Molecular Weight323.27 g/mol
Exact Mass323.08
IUPAC Name1-hydroxy-5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindole-2-carboxylic acid
SMILESO=C(O)C1Cc2cc(-c3ccc(C(F)(F)F)cc3)ccc2N1O
InChIInChI=1S/C16H12F3NO3/c17-16(18,19)12-4-1-9(2-5-12)10-3-6-13-11(7-10)8-14(15(21)22)20(13)23/h1-7,14,23H,8H2,(H,21,22)
InChIKeyHUXRARHACVNXEU-UHFFFAOYSA-N
XLogP3.58
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.27
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-hydroxy-5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindole-2-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

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindole-2-carboxylic acid?
The IUPAC name of 1-hydroxy-5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindole-2-carboxylic acid (CID 174666725) is 1-hydroxy-5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for 1-hydroxy-5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindole-2-carboxylic acid?
The canonical SMILES for 1-hydroxy-5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindole-2-carboxylic acid is O=C(O)C1Cc2cc(-c3ccc(C(F)(F)F)cc3)ccc2N1O.
What is the InChIKey of 1-hydroxy-5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindole-2-carboxylic acid?
The InChIKey is HUXRARHACVNXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3NO3/c17-16(18,19)12-4-1-9(2-5-12)10-3-6-13-11(7-10)8-14(15(21)22)20(13)23/h1-7,14,23H,8H2,(H,21,22).
What are the key properties of 1-hydroxy-5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindole-2-carboxylic acid?
1-hydroxy-5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindole-2-carboxylic acid has a molecular weight of 323.27 g/mol, XLogP of 3.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindole-2-carboxylic acid is sourced from PubChem (CID 174666725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).