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

C21H16FNOS — CID 86236073

IUPAC2-(4-fluorophenyl)-1-(4-methoxyphenyl)-5-thiophen-2-ylpyrrole
SMILESCOc1ccc(-n2c(-c3ccc(F)cc3)ccc2-c2cccs2)cc1
InChIInChI=1S/C21H16FNOS/c1-24-18-10-8-17(9-11-18)23-19(15-4-6-16(22)7-5-15)12-13-20(23)21-3-2-14-25-21/h2-14H,1H3
InChIKeyZQIXWQKUCRQGIG-UHFFFAOYSA-N
MW349.43 g/mol
LogP6.02
Rot. Bonds4

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

2-(4-fluorophenyl)-1-(4-methoxyphenyl)-5-thiophen-2-ylpyrrole (PubChem CID 86236073) has the molecular formula C21H16FNOS and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-(4-methoxyphenyl)-5-thiophen-2-ylpyrrole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-(4-methoxyphenyl)-5-thiophen-2-ylpyrrole
PubChem CID86236073
Molecular FormulaC21H16FNOS
Molecular Weight349.43 g/mol
Exact Mass349.09
IUPAC Name2-(4-fluorophenyl)-1-(4-methoxyphenyl)-5-thiophen-2-ylpyrrole
SMILESCOc1ccc(-n2c(-c3ccc(F)cc3)ccc2-c2cccs2)cc1
InChIInChI=1S/C21H16FNOS/c1-24-18-10-8-17(9-11-18)23-19(15-4-6-16(22)7-5-15)12-13-20(23)21-3-2-14-25-21/h2-14H,1H3
InChIKeyZQIXWQKUCRQGIG-UHFFFAOYSA-N
XLogP6.02
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.43
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-Fluorophenyl)-6-Methoxy-1,3-Benzothiazole
CID 25232189
2-(4-Fluorophenyl)-6-methoxy-1,3-benzothiazole
CID 12179987
2-(4-Methoxyphenyl)-1-methyl-3-(2-thiophen-3-ylethynyl)indole
CID 24818819
2-{2-[(4-Methoxyphenyl)amino]-1-propen-1-yl}-3,4-diphenyl-1,3-thiazol-3-ium bromide
CID 5727907
2-(3-Fluorophenyl)-6-methoxybenzo[d]thiazole
CID 25232007
6-Methoxy-2-[4-[2-methyl-5-(4-methylphenyl)pyrrol-1-yl]phenyl]-1,3-benzothiazole
CID 72190782
2-[4-[2-(4-Fluorophenyl)-5-methylpyrrol-1-yl]phenyl]-6-methoxy-1,3-benzothiazole
CID 72190783
1'-[[1-(4-Methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]methyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 127053487
6-Methoxy-4-phenylselanyl-2-thiophen-2-ylquinoline
CID 156011390
CID 16734171
CID 16734171
6-Methoxy-2-thiophen-2-ylquinoline
CID 44569251
4-[[1-(4-Methoxyphenyl)-2-methyl-5-(p-tolyl)pyrrol-3-yl]methyl]thiomorpholine
CID 52941044

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-(4-methoxyphenyl)-5-thiophen-2-ylpyrrole?
The IUPAC name of 2-(4-fluorophenyl)-1-(4-methoxyphenyl)-5-thiophen-2-ylpyrrole (CID 86236073) is 2-(4-fluorophenyl)-1-(4-methoxyphenyl)-5-thiophen-2-ylpyrrole.
What is the SMILES notation for 2-(4-fluorophenyl)-1-(4-methoxyphenyl)-5-thiophen-2-ylpyrrole?
The canonical SMILES for 2-(4-fluorophenyl)-1-(4-methoxyphenyl)-5-thiophen-2-ylpyrrole is COc1ccc(-n2c(-c3ccc(F)cc3)ccc2-c2cccs2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-1-(4-methoxyphenyl)-5-thiophen-2-ylpyrrole?
The InChIKey is ZQIXWQKUCRQGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FNOS/c1-24-18-10-8-17(9-11-18)23-19(15-4-6-16(22)7-5-15)12-13-20(23)21-3-2-14-25-21/h2-14H,1H3.
What are the key properties of 2-(4-fluorophenyl)-1-(4-methoxyphenyl)-5-thiophen-2-ylpyrrole?
2-(4-fluorophenyl)-1-(4-methoxyphenyl)-5-thiophen-2-ylpyrrole has a molecular weight of 349.43 g/mol, XLogP of 6.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-(4-methoxyphenyl)-5-thiophen-2-ylpyrrole is sourced from PubChem (CID 86236073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).