1-phenyl-2-thiophen-2-yl-5-(trifluoromethyl)pyrrole

C15H10F3NS — CID 175226216

IUPAC1-phenyl-2-thiophen-2-yl-5-(trifluoromethyl)pyrrole
SMILESFC(F)(F)c1ccc(-c2cccs2)n1-c1ccccc1
InChIInChI=1S/C15H10F3NS/c16-15(17,18)14-9-8-12(13-7-4-10-20-13)19(14)11-5-2-1-3-6-11/h1-10H
InChIKeyBHEMALCRKCTVKD-UHFFFAOYSA-N
MW293.31 g/mol
LogP5.22
Rot. Bonds2

About 1-phenyl-2-thiophen-2-yl-5-(trifluoromethyl)pyrrole

1-phenyl-2-thiophen-2-yl-5-(trifluoromethyl)pyrrole (PubChem CID 175226216) has the molecular formula C15H10F3NS and a molecular weight of 293.31 g/mol. Its IUPAC name is 1-phenyl-2-thiophen-2-yl-5-(trifluoromethyl)pyrrole.

Molecular Properties

Compound Name1-phenyl-2-thiophen-2-yl-5-(trifluoromethyl)pyrrole
PubChem CID175226216
Molecular FormulaC15H10F3NS
Molecular Weight293.31 g/mol
Exact Mass293.05
IUPAC Name1-phenyl-2-thiophen-2-yl-5-(trifluoromethyl)pyrrole
SMILESFC(F)(F)c1ccc(-c2cccs2)n1-c1ccccc1
InChIInChI=1S/C15H10F3NS/c16-15(17,18)14-9-8-12(13-7-4-10-20-13)19(14)11-5-2-1-3-6-11/h1-10H
InChIKeyBHEMALCRKCTVKD-UHFFFAOYSA-N
XLogP5.22
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.31
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}

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Related Compounds

Pyridine, 2,6-di-2-thienyl-
CID 182228
2-methyl-6-[(E)-2-thiophen-2-ylethenyl]pyridine
CID 18763213
2,5-Di(2-thienyl)-1H-pyrrole
CID 4175110
1-Phenyl-2,5-di-2-thienyl-1H-pyrrole
CID 5144812
2-Phenyl-6-(2-thienyl)pyridine
CID 15423030
1H-Pyrrole, 1-ethenyl-2-(2-thienyl)-
CID 3302730
1H-Pyrrole, 1-(4-chlorophenyl)-2-methyl-5-(2-thienyl)-
CID 3021800
1H-Pyrrole, 1-(4-fluorophenyl)-2-phenyl-5-(2-thienyl)-
CID 3021801
1H-Pyrrole, 1,5-diphenyl-2-(5-methyl-2-thienyl)-
CID 3021802
1H-Pyrrole, 1,5-diphenyl-2-(4-methyl-2-thienyl)-
CID 3021804
5-(Trifluoromethyl)thieno(3,2-b)pyridine
CID 22281768
2,6-Di(thiophen-3-yl)pyridine
CID 901578

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-thiophen-2-yl-5-(trifluoromethyl)pyrrole?
The IUPAC name of 1-phenyl-2-thiophen-2-yl-5-(trifluoromethyl)pyrrole (CID 175226216) is 1-phenyl-2-thiophen-2-yl-5-(trifluoromethyl)pyrrole.
What is the SMILES notation for 1-phenyl-2-thiophen-2-yl-5-(trifluoromethyl)pyrrole?
The canonical SMILES for 1-phenyl-2-thiophen-2-yl-5-(trifluoromethyl)pyrrole is FC(F)(F)c1ccc(-c2cccs2)n1-c1ccccc1.
What is the InChIKey of 1-phenyl-2-thiophen-2-yl-5-(trifluoromethyl)pyrrole?
The InChIKey is BHEMALCRKCTVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3NS/c16-15(17,18)14-9-8-12(13-7-4-10-20-13)19(14)11-5-2-1-3-6-11/h1-10H.
What are the key properties of 1-phenyl-2-thiophen-2-yl-5-(trifluoromethyl)pyrrole?
1-phenyl-2-thiophen-2-yl-5-(trifluoromethyl)pyrrole has a molecular weight of 293.31 g/mol, XLogP of 5.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-thiophen-2-yl-5-(trifluoromethyl)pyrrole is sourced from PubChem (CID 175226216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).