3-fluoro-5-(3-fluoro-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine

C12H8F2O4S2 — CID 71273597

IUPAC3-fluoro-5-(3-fluoro-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESFC1COc2c(csc2-c2scc3c2OC(F)CO3)O1
InChIInChI=1S/C12H8F2O4S2/c13-7-2-16-9-6(17-7)4-20-11(9)12-10-5(3-19-12)15-1-8(14)18-10/h3-4,7-8H,1-2H2
InChIKeyMZDMLRWGARTFEB-UHFFFAOYSA-N
MW318.32 g/mol
LogP3.61
Rot. Bonds1

About 3-fluoro-5-(3-fluoro-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine

3-fluoro-5-(3-fluoro-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine (PubChem CID 71273597) has the molecular formula C12H8F2O4S2 and a molecular weight of 318.32 g/mol. Its IUPAC name is 3-fluoro-5-(3-fluoro-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine.

Molecular Properties

Compound Name3-fluoro-5-(3-fluoro-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
PubChem CID71273597
Molecular FormulaC12H8F2O4S2
Molecular Weight318.32 g/mol
Exact Mass317.98
IUPAC Name3-fluoro-5-(3-fluoro-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESFC1COc2c(csc2-c2scc3c2OC(F)CO3)O1
InChIInChI=1S/C12H8F2O4S2/c13-7-2-16-9-6(17-7)4-20-11(9)12-10-5(3-19-12)15-1-8(14)18-10/h3-4,7-8H,1-2H2
InChIKeyMZDMLRWGARTFEB-UHFFFAOYSA-N
XLogP3.61
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-fluoro-5-(3-fluoro-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(3-fluoro-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The IUPAC name of 3-fluoro-5-(3-fluoro-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine (CID 71273597) is 3-fluoro-5-(3-fluoro-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine.
What is the SMILES notation for 3-fluoro-5-(3-fluoro-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The canonical SMILES for 3-fluoro-5-(3-fluoro-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine is FC1COc2c(csc2-c2scc3c2OC(F)CO3)O1.
What is the InChIKey of 3-fluoro-5-(3-fluoro-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The InChIKey is MZDMLRWGARTFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2O4S2/c13-7-2-16-9-6(17-7)4-20-11(9)12-10-5(3-19-12)15-1-8(14)18-10/h3-4,7-8H,1-2H2.
What are the key properties of 3-fluoro-5-(3-fluoro-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
3-fluoro-5-(3-fluoro-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine has a molecular weight of 318.32 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(3-fluoro-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine is sourced from PubChem (CID 71273597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).