1-[(2-phenylphenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroindole

C22H18F3N — CID 90704946

IUPAC1-[(2-phenylphenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroindole
SMILESFC(F)(F)c1ccc2c(c1)N(Cc1ccccc1-c1ccccc1)CC2
InChIInChI=1S/C22H18F3N/c23-22(24,25)19-11-10-17-12-13-26(21(17)14-19)15-18-8-4-5-9-20(18)16-6-2-1-3-7-16/h1-11,14H,12-13,15H2
InChIKeyOIDXFLKWMSYKOT-UHFFFAOYSA-N
MW353.39 g/mol
LogP5.94
Rot. Bonds3

About 1-[(2-phenylphenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroindole

1-[(2-phenylphenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroindole (PubChem CID 90704946) has the molecular formula C22H18F3N and a molecular weight of 353.39 g/mol. Its IUPAC name is 1-[(2-phenylphenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroindole.

Molecular Properties

Compound Name1-[(2-phenylphenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroindole
PubChem CID90704946
Molecular FormulaC22H18F3N
Molecular Weight353.39 g/mol
Exact Mass353.14
IUPAC Name1-[(2-phenylphenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroindole
SMILESFC(F)(F)c1ccc2c(c1)N(Cc1ccccc1-c1ccccc1)CC2
InChIInChI=1S/C22H18F3N/c23-22(24,25)19-11-10-17-12-13-26(21(17)14-19)15-18-8-4-5-9-20(18)16-6-2-1-3-7-16/h1-11,14H,12-13,15H2
InChIKeyOIDXFLKWMSYKOT-UHFFFAOYSA-N
XLogP5.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.39
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-phenylphenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroindole?
The IUPAC name of 1-[(2-phenylphenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroindole (CID 90704946) is 1-[(2-phenylphenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroindole.
What is the SMILES notation for 1-[(2-phenylphenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroindole?
The canonical SMILES for 1-[(2-phenylphenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroindole is FC(F)(F)c1ccc2c(c1)N(Cc1ccccc1-c1ccccc1)CC2.
What is the InChIKey of 1-[(2-phenylphenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroindole?
The InChIKey is OIDXFLKWMSYKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N/c23-22(24,25)19-11-10-17-12-13-26(21(17)14-19)15-18-8-4-5-9-20(18)16-6-2-1-3-7-16/h1-11,14H,12-13,15H2.
What are the key properties of 1-[(2-phenylphenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroindole?
1-[(2-phenylphenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroindole has a molecular weight of 353.39 g/mol, XLogP of 5.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-phenylphenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroindole is sourced from PubChem (CID 90704946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).