5-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-3,4-bis(2,2,2-trifluoroethoxy)thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine

C20H14F6O6S3 — CID 89322252

IUPAC5-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-3,4-bis(2,2,2-trifluoroethoxy)thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESFC(F)(F)COc1c(-c2scc3c2OCCO3)sc(-c2scc3c2OCCO3)c1OCC(F)(F)F
InChIInChI=1S/C20H14F6O6S3/c21-19(22,23)7-31-13-14(32-8-20(24,25)26)18(16-12-10(6-34-16)28-2-4-30-12)35-17(13)15-11-9(5-33-15)27-1-3-29-11/h5-6H,1-4,7-8H2
InChIKeyWZUVQNILBDHDGA-UHFFFAOYSA-N
MW560.52 g/mol
LogP6.63
Rot. Bonds6

About 5-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-3,4-bis(2,2,2-trifluoroethoxy)thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine

5-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-3,4-bis(2,2,2-trifluoroethoxy)thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine (PubChem CID 89322252) has the molecular formula C20H14F6O6S3 and a molecular weight of 560.52 g/mol. Its IUPAC name is 5-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-3,4-bis(2,2,2-trifluoroethoxy)thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine.

Molecular Properties

Compound Name5-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-3,4-bis(2,2,2-trifluoroethoxy)thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
PubChem CID89322252
Molecular FormulaC20H14F6O6S3
Molecular Weight560.52 g/mol
Exact Mass559.99
IUPAC Name5-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-3,4-bis(2,2,2-trifluoroethoxy)thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESFC(F)(F)COc1c(-c2scc3c2OCCO3)sc(-c2scc3c2OCCO3)c1OCC(F)(F)F
InChIInChI=1S/C20H14F6O6S3/c21-19(22,23)7-31-13-14(32-8-20(24,25)26)18(16-12-10(6-34-16)28-2-4-30-12)35-17(13)15-11-9(5-33-15)27-1-3-29-11/h5-6H,1-4,7-8H2
InChIKeyWZUVQNILBDHDGA-UHFFFAOYSA-N
XLogP6.63
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.52
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 5-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-3,4-bis(2,2,2-trifluoroethoxy)thiophen-2-yl]-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-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-3,4-bis(2,2,2-trifluoroethoxy)thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The IUPAC name of 5-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-3,4-bis(2,2,2-trifluoroethoxy)thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine (CID 89322252) is 5-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-3,4-bis(2,2,2-trifluoroethoxy)thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine.
What is the SMILES notation for 5-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-3,4-bis(2,2,2-trifluoroethoxy)thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The canonical SMILES for 5-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-3,4-bis(2,2,2-trifluoroethoxy)thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine is FC(F)(F)COc1c(-c2scc3c2OCCO3)sc(-c2scc3c2OCCO3)c1OCC(F)(F)F.
What is the InChIKey of 5-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-3,4-bis(2,2,2-trifluoroethoxy)thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The InChIKey is WZUVQNILBDHDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F6O6S3/c21-19(22,23)7-31-13-14(32-8-20(24,25)26)18(16-12-10(6-34-16)28-2-4-30-12)35-17(13)15-11-9(5-33-15)27-1-3-29-11/h5-6H,1-4,7-8H2.
What are the key properties of 5-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-3,4-bis(2,2,2-trifluoroethoxy)thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine?
5-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-3,4-bis(2,2,2-trifluoroethoxy)thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine has a molecular weight of 560.52 g/mol, XLogP of 6.63, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-3,4-bis(2,2,2-trifluoroethoxy)thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine is sourced from PubChem (CID 89322252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).