2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1-(4-fluorophenyl)pyrrole

C16H12FNO2S — CID 58381822

IUPAC2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1-(4-fluorophenyl)pyrrole
SMILESFc1ccc(-n2cccc2-c2scc3c2OCCO3)cc1
InChIInChI=1S/C16H12FNO2S/c17-11-3-5-12(6-4-11)18-7-1-2-13(18)16-15-14(10-21-16)19-8-9-20-15/h1-7,10H,8-9H2
InChIKeyYJXLXVIHWWOUDA-UHFFFAOYSA-N
MW301.34 g/mol
LogP4.12
Rot. Bonds2

About 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1-(4-fluorophenyl)pyrrole

2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1-(4-fluorophenyl)pyrrole (PubChem CID 58381822) has the molecular formula C16H12FNO2S and a molecular weight of 301.34 g/mol. Its IUPAC name is 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1-(4-fluorophenyl)pyrrole.

Molecular Properties

Compound Name2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1-(4-fluorophenyl)pyrrole
PubChem CID58381822
Molecular FormulaC16H12FNO2S
Molecular Weight301.34 g/mol
Exact Mass301.06
IUPAC Name2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1-(4-fluorophenyl)pyrrole
SMILESFc1ccc(-n2cccc2-c2scc3c2OCCO3)cc1
InChIInChI=1S/C16H12FNO2S/c17-11-3-5-12(6-4-11)18-7-1-2-13(18)16-15-14(10-21-16)19-8-9-20-15/h1-7,10H,8-9H2
InChIKeyYJXLXVIHWWOUDA-UHFFFAOYSA-N
XLogP4.12
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1-(4-fluorophenyl)pyrrole?
The IUPAC name of 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1-(4-fluorophenyl)pyrrole (CID 58381822) is 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1-(4-fluorophenyl)pyrrole.
What is the SMILES notation for 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1-(4-fluorophenyl)pyrrole?
The canonical SMILES for 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1-(4-fluorophenyl)pyrrole is Fc1ccc(-n2cccc2-c2scc3c2OCCO3)cc1.
What is the InChIKey of 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1-(4-fluorophenyl)pyrrole?
The InChIKey is YJXLXVIHWWOUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO2S/c17-11-3-5-12(6-4-11)18-7-1-2-13(18)16-15-14(10-21-16)19-8-9-20-15/h1-7,10H,8-9H2.
What are the key properties of 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1-(4-fluorophenyl)pyrrole?
2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1-(4-fluorophenyl)pyrrole has a molecular weight of 301.34 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1-(4-fluorophenyl)pyrrole is sourced from PubChem (CID 58381822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).