[2-phenyl-5-(trifluoromethyl)indol-1-yl] benzoate

C22H14F3NO2 — CID 174625419

IUPAC[2-phenyl-5-(trifluoromethyl)indol-1-yl] benzoate
SMILESO=C(On1c(-c2ccccc2)cc2cc(C(F)(F)F)ccc21)c1ccccc1
InChIInChI=1S/C22H14F3NO2/c23-22(24,25)18-11-12-19-17(13-18)14-20(15-7-3-1-4-8-15)26(19)28-21(27)16-9-5-2-6-10-16/h1-14H
InChIKeyXRVJZOOHMGALHO-UHFFFAOYSA-N
MW381.35 g/mol
LogP5.60
Rot. Bonds3

About [2-phenyl-5-(trifluoromethyl)indol-1-yl] benzoate

[2-phenyl-5-(trifluoromethyl)indol-1-yl] benzoate (PubChem CID 174625419) has the molecular formula C22H14F3NO2 and a molecular weight of 381.35 g/mol. Its IUPAC name is [2-phenyl-5-(trifluoromethyl)indol-1-yl] benzoate.

Molecular Properties

Compound Name[2-phenyl-5-(trifluoromethyl)indol-1-yl] benzoate
PubChem CID174625419
Molecular FormulaC22H14F3NO2
Molecular Weight381.35 g/mol
Exact Mass381.10
IUPAC Name[2-phenyl-5-(trifluoromethyl)indol-1-yl] benzoate
SMILESO=C(On1c(-c2ccccc2)cc2cc(C(F)(F)F)ccc21)c1ccccc1
InChIInChI=1S/C22H14F3NO2/c23-22(24,25)18-11-12-19-17(13-18)14-20(15-7-3-1-4-8-15)26(19)28-21(27)16-9-5-2-6-10-16/h1-14H
InChIKeyXRVJZOOHMGALHO-UHFFFAOYSA-N
XLogP5.60
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.35
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-phenyl-5-(trifluoromethyl)indol-1-yl] benzoate?
The IUPAC name of [2-phenyl-5-(trifluoromethyl)indol-1-yl] benzoate (CID 174625419) is [2-phenyl-5-(trifluoromethyl)indol-1-yl] benzoate.
What is the SMILES notation for [2-phenyl-5-(trifluoromethyl)indol-1-yl] benzoate?
The canonical SMILES for [2-phenyl-5-(trifluoromethyl)indol-1-yl] benzoate is O=C(On1c(-c2ccccc2)cc2cc(C(F)(F)F)ccc21)c1ccccc1.
What is the InChIKey of [2-phenyl-5-(trifluoromethyl)indol-1-yl] benzoate?
The InChIKey is XRVJZOOHMGALHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F3NO2/c23-22(24,25)18-11-12-19-17(13-18)14-20(15-7-3-1-4-8-15)26(19)28-21(27)16-9-5-2-6-10-16/h1-14H.
What are the key properties of [2-phenyl-5-(trifluoromethyl)indol-1-yl] benzoate?
[2-phenyl-5-(trifluoromethyl)indol-1-yl] benzoate has a molecular weight of 381.35 g/mol, XLogP of 5.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-phenyl-5-(trifluoromethyl)indol-1-yl] benzoate is sourced from PubChem (CID 174625419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).