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

C17H14F3NO2 — CID 59626041

IUPAC1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CCN2Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H14F3NO2/c18-17(19,20)14-4-1-11(2-5-14)10-21-8-7-12-9-13(16(22)23)3-6-15(12)21/h1-6,9H,7-8,10H2,(H,22,23)
InChIKeyOILOVKKQFKNCPL-UHFFFAOYSA-N
MW321.30 g/mol
LogP3.97
Rot. Bonds3

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

1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindole-5-carboxylic acid (PubChem CID 59626041) has the molecular formula C17H14F3NO2 and a molecular weight of 321.30 g/mol. Its IUPAC name is 1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindole-5-carboxylic acid.

Molecular Properties

Compound Name1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindole-5-carboxylic acid
PubChem CID59626041
Molecular FormulaC17H14F3NO2
Molecular Weight321.30 g/mol
Exact Mass321.10
IUPAC Name1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CCN2Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H14F3NO2/c18-17(19,20)14-4-1-11(2-5-14)10-21-8-7-12-9-13(16(22)23)3-6-15(12)21/h1-6,9H,7-8,10H2,(H,22,23)
InChIKeyOILOVKKQFKNCPL-UHFFFAOYSA-N
XLogP3.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.30
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindole-5-carboxylic acid?
The IUPAC name of 1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindole-5-carboxylic acid (CID 59626041) is 1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindole-5-carboxylic acid.
What is the SMILES notation for 1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindole-5-carboxylic acid?
The canonical SMILES for 1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindole-5-carboxylic acid is O=C(O)c1ccc2c(c1)CCN2Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindole-5-carboxylic acid?
The InChIKey is OILOVKKQFKNCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3NO2/c18-17(19,20)14-4-1-11(2-5-14)10-21-8-7-12-9-13(16(22)23)3-6-15(12)21/h1-6,9H,7-8,10H2,(H,22,23).
What are the key properties of 1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindole-5-carboxylic acid?
1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindole-5-carboxylic acid has a molecular weight of 321.30 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindole-5-carboxylic acid is sourced from PubChem (CID 59626041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).