3,3-difluoro-6,8-dimethyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine

C9H10F2O2S — CID 130182524

IUPAC3,3-difluoro-6,8-dimethyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine
SMILESCc1sc(C)c2c1OCC(F)(F)CO2
InChIInChI=1S/C9H10F2O2S/c1-5-7-8(6(2)14-5)13-4-9(10,11)3-12-7/h3-4H2,1-2H3
InChIKeyZSDRIVBUMRIMST-UHFFFAOYSA-N
MW220.24 g/mol
LogP2.77
Rot. Bonds

About 3,3-difluoro-6,8-dimethyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine

3,3-difluoro-6,8-dimethyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine (PubChem CID 130182524) has the molecular formula C9H10F2O2S and a molecular weight of 220.24 g/mol. Its IUPAC name is 3,3-difluoro-6,8-dimethyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine.

Molecular Properties

Compound Name3,3-difluoro-6,8-dimethyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine
PubChem CID130182524
Molecular FormulaC9H10F2O2S
Molecular Weight220.24 g/mol
Exact Mass220.04
IUPAC Name3,3-difluoro-6,8-dimethyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine
SMILESCc1sc(C)c2c1OCC(F)(F)CO2
InChIInChI=1S/C9H10F2O2S/c1-5-7-8(6(2)14-5)13-4-9(10,11)3-12-7/h3-4H2,1-2H3
InChIKeyZSDRIVBUMRIMST-UHFFFAOYSA-N
XLogP2.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5,7-Dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 18716605
(3-Fluoro-6,8-dimethyl-2,4-dihydrothieno[3,4-b][1,4]dioxepin-3-yl)phosphane
CID 130182634
5,7-Dimethyl-3-(trifluoromethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 145344236
2,5-Dimethyl-3,4-bis(3,3,3-trifluoropropoxy)thiophene
CID 145344251
3,3-Difluoro-6,8-di(propan-2-yl)-2,4-dihydrothieno[3,4-b][1,4]dioxepine
CID 145767323
6,8-Dimethyl-3,3-bis(4,4,6,6-tetrafluorooctoxymethyl)-2,4-dihydrothieno[3,4-b][1,4]dioxepine
CID 157274997
3-(4,4,6,6,8,8,8-Heptafluorooctoxymethyl)-6,8-dimethyl-3-(4,4,6,6-tetrafluorooctoxymethyl)-2,4-dihydrothieno[3,4-b][1,4]dioxepine
CID 158794557
Diethyl 3,3-bis(ethoxymethyl)-3,4-dihydro-2h-thieno[3,4-b][1,4]dioxepine
CID 134814573
2,5-Di(propan-2-yl)-3-propoxy-4-(3,3,3-trifluoropropoxy)thiophene
CID 159797613
3,4-Dimethoxy-2,5-dimethylthiophene
CID 15640918
2,3,5,7-Tetramethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 18716601
3,5,7-Trimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 18716603

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-6,8-dimethyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine?
The IUPAC name of 3,3-difluoro-6,8-dimethyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine (CID 130182524) is 3,3-difluoro-6,8-dimethyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine.
What is the SMILES notation for 3,3-difluoro-6,8-dimethyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine?
The canonical SMILES for 3,3-difluoro-6,8-dimethyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine is Cc1sc(C)c2c1OCC(F)(F)CO2.
What is the InChIKey of 3,3-difluoro-6,8-dimethyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine?
The InChIKey is ZSDRIVBUMRIMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2O2S/c1-5-7-8(6(2)14-5)13-4-9(10,11)3-12-7/h3-4H2,1-2H3.
What are the key properties of 3,3-difluoro-6,8-dimethyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine?
3,3-difluoro-6,8-dimethyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine has a molecular weight of 220.24 g/mol, XLogP of 2.77, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-6,8-dimethyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine is sourced from PubChem (CID 130182524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).