2,3-diphenyl-5-(trifluoromethyl)-1H-pyrrole

C17H12F3N — CID 15318966

IUPAC2,3-diphenyl-5-(trifluoromethyl)-1H-pyrrole
SMILESFC(F)(F)c1cc(-c2ccccc2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C17H12F3N/c18-17(19,20)15-11-14(12-7-3-1-4-8-12)16(21-15)13-9-5-2-6-10-13/h1-11,21H
InChIKeyCAIOBIKYTYFBQW-UHFFFAOYSA-N
MW287.28 g/mol
LogP5.37
Rot. Bonds2

About 2,3-diphenyl-5-(trifluoromethyl)-1H-pyrrole

2,3-diphenyl-5-(trifluoromethyl)-1H-pyrrole (PubChem CID 15318966) has the molecular formula C17H12F3N and a molecular weight of 287.28 g/mol. Its IUPAC name is 2,3-diphenyl-5-(trifluoromethyl)-1H-pyrrole.

Molecular Properties

Compound Name2,3-diphenyl-5-(trifluoromethyl)-1H-pyrrole
PubChem CID15318966
Molecular FormulaC17H12F3N
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC Name2,3-diphenyl-5-(trifluoromethyl)-1H-pyrrole
SMILESFC(F)(F)c1cc(-c2ccccc2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C17H12F3N/c18-17(19,20)15-11-14(12-7-3-1-4-8-12)16(21-15)13-9-5-2-6-10-13/h1-11,21H
InChIKeyCAIOBIKYTYFBQW-UHFFFAOYSA-N
XLogP5.37
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.28
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,3-diphenyl-5-(trifluoromethyl)-1H-pyrrole?
The IUPAC name of 2,3-diphenyl-5-(trifluoromethyl)-1H-pyrrole (CID 15318966) is 2,3-diphenyl-5-(trifluoromethyl)-1H-pyrrole.
What is the SMILES notation for 2,3-diphenyl-5-(trifluoromethyl)-1H-pyrrole?
The canonical SMILES for 2,3-diphenyl-5-(trifluoromethyl)-1H-pyrrole is FC(F)(F)c1cc(-c2ccccc2)c(-c2ccccc2)[nH]1.
What is the InChIKey of 2,3-diphenyl-5-(trifluoromethyl)-1H-pyrrole?
The InChIKey is CAIOBIKYTYFBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N/c18-17(19,20)15-11-14(12-7-3-1-4-8-12)16(21-15)13-9-5-2-6-10-13/h1-11,21H.
What are the key properties of 2,3-diphenyl-5-(trifluoromethyl)-1H-pyrrole?
2,3-diphenyl-5-(trifluoromethyl)-1H-pyrrole has a molecular weight of 287.28 g/mol, XLogP of 5.37, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diphenyl-5-(trifluoromethyl)-1H-pyrrole is sourced from PubChem (CID 15318966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).