6-(4-chlorophenyl)-1-hydroxy-4-(trifluoromethyl)-2,3-dihydroindole-2-carboxylic acid

C16H11ClF3NO3 — CID 174666727

IUPAC6-(4-chlorophenyl)-1-hydroxy-4-(trifluoromethyl)-2,3-dihydroindole-2-carboxylic acid
SMILESO=C(O)C1Cc2c(cc(-c3ccc(Cl)cc3)cc2C(F)(F)F)N1O
InChIInChI=1S/C16H11ClF3NO3/c17-10-3-1-8(2-4-10)9-5-12(16(18,19)20)11-7-14(15(22)23)21(24)13(11)6-9/h1-6,14,24H,7H2,(H,22,23)
InChIKeyHPENUFCESCINII-UHFFFAOYSA-N
MW357.72 g/mol
LogP4.23
Rot. Bonds2

About 6-(4-chlorophenyl)-1-hydroxy-4-(trifluoromethyl)-2,3-dihydroindole-2-carboxylic acid

6-(4-chlorophenyl)-1-hydroxy-4-(trifluoromethyl)-2,3-dihydroindole-2-carboxylic acid (PubChem CID 174666727) has the molecular formula C16H11ClF3NO3 and a molecular weight of 357.72 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-1-hydroxy-4-(trifluoromethyl)-2,3-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name6-(4-chlorophenyl)-1-hydroxy-4-(trifluoromethyl)-2,3-dihydroindole-2-carboxylic acid
PubChem CID174666727
Molecular FormulaC16H11ClF3NO3
Molecular Weight357.72 g/mol
Exact Mass357.04
IUPAC Name6-(4-chlorophenyl)-1-hydroxy-4-(trifluoromethyl)-2,3-dihydroindole-2-carboxylic acid
SMILESO=C(O)C1Cc2c(cc(-c3ccc(Cl)cc3)cc2C(F)(F)F)N1O
InChIInChI=1S/C16H11ClF3NO3/c17-10-3-1-8(2-4-10)9-5-12(16(18,19)20)11-7-14(15(22)23)21(24)13(11)6-9/h1-6,14,24H,7H2,(H,22,23)
InChIKeyHPENUFCESCINII-UHFFFAOYSA-N
XLogP4.23
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.72
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-1-hydroxy-4-(trifluoromethyl)-2,3-dihydroindole-2-carboxylic acid?
The IUPAC name of 6-(4-chlorophenyl)-1-hydroxy-4-(trifluoromethyl)-2,3-dihydroindole-2-carboxylic acid (CID 174666727) is 6-(4-chlorophenyl)-1-hydroxy-4-(trifluoromethyl)-2,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for 6-(4-chlorophenyl)-1-hydroxy-4-(trifluoromethyl)-2,3-dihydroindole-2-carboxylic acid?
The canonical SMILES for 6-(4-chlorophenyl)-1-hydroxy-4-(trifluoromethyl)-2,3-dihydroindole-2-carboxylic acid is O=C(O)C1Cc2c(cc(-c3ccc(Cl)cc3)cc2C(F)(F)F)N1O.
What is the InChIKey of 6-(4-chlorophenyl)-1-hydroxy-4-(trifluoromethyl)-2,3-dihydroindole-2-carboxylic acid?
The InChIKey is HPENUFCESCINII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF3NO3/c17-10-3-1-8(2-4-10)9-5-12(16(18,19)20)11-7-14(15(22)23)21(24)13(11)6-9/h1-6,14,24H,7H2,(H,22,23).
What are the key properties of 6-(4-chlorophenyl)-1-hydroxy-4-(trifluoromethyl)-2,3-dihydroindole-2-carboxylic acid?
6-(4-chlorophenyl)-1-hydroxy-4-(trifluoromethyl)-2,3-dihydroindole-2-carboxylic acid has a molecular weight of 357.72 g/mol, XLogP of 4.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-1-hydroxy-4-(trifluoromethyl)-2,3-dihydroindole-2-carboxylic acid is sourced from PubChem (CID 174666727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).