1-(4-fluorophenyl)-2,5-dithiophen-2-ylpyrrole

C18H12FNS2 — CID 86204786

IUPAC1-(4-fluorophenyl)-2,5-dithiophen-2-ylpyrrole
SMILESFc1ccc(-n2c(-c3cccs3)ccc2-c2cccs2)cc1
InChIInChI=1S/C18H12FNS2/c19-13-5-7-14(8-6-13)20-15(17-3-1-11-21-17)9-10-16(20)18-4-2-12-22-18/h1-12H
InChIKeyANLWPTQEWOEUPN-UHFFFAOYSA-N
MW325.43 g/mol
LogP6.07
Rot. Bonds3

About 1-(4-fluorophenyl)-2,5-dithiophen-2-ylpyrrole

1-(4-fluorophenyl)-2,5-dithiophen-2-ylpyrrole (PubChem CID 86204786) has the molecular formula C18H12FNS2 and a molecular weight of 325.43 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2,5-dithiophen-2-ylpyrrole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2,5-dithiophen-2-ylpyrrole
PubChem CID86204786
Molecular FormulaC18H12FNS2
Molecular Weight325.43 g/mol
Exact Mass325.04
IUPAC Name1-(4-fluorophenyl)-2,5-dithiophen-2-ylpyrrole
SMILESFc1ccc(-n2c(-c3cccs3)ccc2-c2cccs2)cc1
InChIInChI=1S/C18H12FNS2/c19-13-5-7-14(8-6-13)20-15(17-3-1-11-21-17)9-10-16(20)18-4-2-12-22-18/h1-12H
InChIKeyANLWPTQEWOEUPN-UHFFFAOYSA-N
XLogP6.07
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.43
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Pyridine, 2,6-di-2-thienyl-
CID 182228
2-[2,2']Bithiophenyl-5-yl-benzothiazole
CID 14748184
2,5-Di(2-thienyl)-1H-pyrrole
CID 4175110
1-Phenyl-2,5-di-2-thienyl-1H-pyrrole
CID 5144812
2,4,6-Trithiophen-2-ylpyridine
CID 2804907
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
2,4-dithiophen-2-yl-6-[(E)-2-thiophen-2-ylethenyl]pyridine
CID 44276052
21,23-Dithiaporphyrin
CID 12117020
1-Methyl-2,5-bis(2-thienyl)-1H-pyrrole
CID 15151607

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2,5-dithiophen-2-ylpyrrole?
The IUPAC name of 1-(4-fluorophenyl)-2,5-dithiophen-2-ylpyrrole (CID 86204786) is 1-(4-fluorophenyl)-2,5-dithiophen-2-ylpyrrole.
What is the SMILES notation for 1-(4-fluorophenyl)-2,5-dithiophen-2-ylpyrrole?
The canonical SMILES for 1-(4-fluorophenyl)-2,5-dithiophen-2-ylpyrrole is Fc1ccc(-n2c(-c3cccs3)ccc2-c2cccs2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2,5-dithiophen-2-ylpyrrole?
The InChIKey is ANLWPTQEWOEUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FNS2/c19-13-5-7-14(8-6-13)20-15(17-3-1-11-21-17)9-10-16(20)18-4-2-12-22-18/h1-12H.
What are the key properties of 1-(4-fluorophenyl)-2,5-dithiophen-2-ylpyrrole?
1-(4-fluorophenyl)-2,5-dithiophen-2-ylpyrrole has a molecular weight of 325.43 g/mol, XLogP of 6.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2,5-dithiophen-2-ylpyrrole is sourced from PubChem (CID 86204786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).