1-(4-fluorophenyl)-2-phenyl-5-thiophen-2-ylpyrrole

C20H14FNS — CID 3021801

IUPAC1-(4-fluorophenyl)-2-phenyl-5-thiophen-2-ylpyrrole
SMILESFc1ccc(-n2c(-c3ccccc3)ccc2-c2cccs2)cc1
InChIInChI=1S/C20H14FNS/c21-16-8-10-17(11-9-16)22-18(15-5-2-1-3-6-15)12-13-19(22)20-7-4-14-23-20/h1-14H
InChIKeyJIJYJJFEBIJPFF-UHFFFAOYSA-N
MW319.40 g/mol
LogP6.01
Rot. Bonds3

About 1-(4-fluorophenyl)-2-phenyl-5-thiophen-2-ylpyrrole

1-(4-fluorophenyl)-2-phenyl-5-thiophen-2-ylpyrrole (PubChem CID 3021801) has the molecular formula C20H14FNS and a molecular weight of 319.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-phenyl-5-thiophen-2-ylpyrrole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-phenyl-5-thiophen-2-ylpyrrole
PubChem CID3021801
Molecular FormulaC20H14FNS
Molecular Weight319.40 g/mol
Exact Mass319.08
IUPAC Name1-(4-fluorophenyl)-2-phenyl-5-thiophen-2-ylpyrrole
SMILESFc1ccc(-n2c(-c3ccccc3)ccc2-c2cccs2)cc1
InChIInChI=1S/C20H14FNS/c21-16-8-10-17(11-9-16)22-18(15-5-2-1-3-6-15)12-13-19(22)20-7-4-14-23-20/h1-14H
InChIKeyJIJYJJFEBIJPFF-UHFFFAOYSA-N
XLogP6.01
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.40
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-phenyl-5-thiophen-2-ylpyrrole?
The IUPAC name of 1-(4-fluorophenyl)-2-phenyl-5-thiophen-2-ylpyrrole (CID 3021801) is 1-(4-fluorophenyl)-2-phenyl-5-thiophen-2-ylpyrrole.
What is the SMILES notation for 1-(4-fluorophenyl)-2-phenyl-5-thiophen-2-ylpyrrole?
The canonical SMILES for 1-(4-fluorophenyl)-2-phenyl-5-thiophen-2-ylpyrrole is Fc1ccc(-n2c(-c3ccccc3)ccc2-c2cccs2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-phenyl-5-thiophen-2-ylpyrrole?
The InChIKey is JIJYJJFEBIJPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FNS/c21-16-8-10-17(11-9-16)22-18(15-5-2-1-3-6-15)12-13-19(22)20-7-4-14-23-20/h1-14H.
What are the key properties of 1-(4-fluorophenyl)-2-phenyl-5-thiophen-2-ylpyrrole?
1-(4-fluorophenyl)-2-phenyl-5-thiophen-2-ylpyrrole has a molecular weight of 319.40 g/mol, XLogP of 6.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-phenyl-5-thiophen-2-ylpyrrole is sourced from PubChem (CID 3021801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).