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

C15H11F5O4S2 — CID 135144251

IUPAC5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-(2,2,3,3,3-pentafluoropropyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESFC(F)(F)C(F)(F)Cc1sc(-c2scc3c2OCCO3)c2c1OCCO2
InChIInChI=1S/C15H11F5O4S2/c16-14(17,15(18,19)20)5-8-10-11(24-4-3-23-10)13(26-8)12-9-7(6-25-12)21-1-2-22-9/h6H,1-5H2
InChIKeyZQDUTJPILZYVGH-UHFFFAOYSA-N
MW414.37 g/mol
LogP4.76
Rot. Bonds3

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

5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-(2,2,3,3,3-pentafluoropropyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine (PubChem CID 135144251) has the molecular formula C15H11F5O4S2 and a molecular weight of 414.37 g/mol. Its IUPAC name is 5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-(2,2,3,3,3-pentafluoropropyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine.

Molecular Properties

Compound Name5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-(2,2,3,3,3-pentafluoropropyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
PubChem CID135144251
Molecular FormulaC15H11F5O4S2
Molecular Weight414.37 g/mol
Exact Mass414.00
IUPAC Name5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-(2,2,3,3,3-pentafluoropropyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESFC(F)(F)C(F)(F)Cc1sc(-c2scc3c2OCCO3)c2c1OCCO2
InChIInChI=1S/C15H11F5O4S2/c16-14(17,15(18,19)20)5-8-10-11(24-4-3-23-10)13(26-8)12-9-7(6-25-12)21-1-2-22-9/h6H,1-5H2
InChIKeyZQDUTJPILZYVGH-UHFFFAOYSA-N
XLogP4.76
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.37
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-(2,2,3,3,3-pentafluoropropyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The IUPAC name of 5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-(2,2,3,3,3-pentafluoropropyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine (CID 135144251) is 5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-(2,2,3,3,3-pentafluoropropyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine.
What is the SMILES notation for 5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-(2,2,3,3,3-pentafluoropropyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The canonical SMILES for 5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-(2,2,3,3,3-pentafluoropropyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine is FC(F)(F)C(F)(F)Cc1sc(-c2scc3c2OCCO3)c2c1OCCO2.
What is the InChIKey of 5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-(2,2,3,3,3-pentafluoropropyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The InChIKey is ZQDUTJPILZYVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F5O4S2/c16-14(17,15(18,19)20)5-8-10-11(24-4-3-23-10)13(26-8)12-9-7(6-25-12)21-1-2-22-9/h6H,1-5H2.
What are the key properties of 5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-(2,2,3,3,3-pentafluoropropyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-(2,2,3,3,3-pentafluoropropyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine has a molecular weight of 414.37 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-(2,2,3,3,3-pentafluoropropyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine is sourced from PubChem (CID 135144251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).