5,7-dimethyl-3-(trifluoromethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine

C9H9F3O2S — CID 145344236

IUPAC5,7-dimethyl-3-(trifluoromethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESCc1sc(C)c2c1OCC(C(F)(F)F)O2
InChIInChI=1S/C9H9F3O2S/c1-4-7-8(5(2)15-4)14-6(3-13-7)9(10,11)12/h6H,3H2,1-2H3
InChIKeyONTQCFZCCIDFDL-UHFFFAOYSA-N
MW238.23 g/mol
LogP3.07
Rot. Bonds

About 5,7-dimethyl-3-(trifluoromethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine

5,7-dimethyl-3-(trifluoromethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine (PubChem CID 145344236) has the molecular formula C9H9F3O2S and a molecular weight of 238.23 g/mol. Its IUPAC name is 5,7-dimethyl-3-(trifluoromethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine.

Molecular Properties

Compound Name5,7-dimethyl-3-(trifluoromethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
PubChem CID145344236
Molecular FormulaC9H9F3O2S
Molecular Weight238.23 g/mol
Exact Mass238.03
IUPAC Name5,7-dimethyl-3-(trifluoromethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESCc1sc(C)c2c1OCC(C(F)(F)F)O2
InChIInChI=1S/C9H9F3O2S/c1-4-7-8(5(2)15-4)14-6(3-13-7)9(10,11)12/h6H,3H2,1-2H3
InChIKeyONTQCFZCCIDFDL-UHFFFAOYSA-N
XLogP3.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.23
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-3-(trifluoromethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The IUPAC name of 5,7-dimethyl-3-(trifluoromethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine (CID 145344236) is 5,7-dimethyl-3-(trifluoromethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine.
What is the SMILES notation for 5,7-dimethyl-3-(trifluoromethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The canonical SMILES for 5,7-dimethyl-3-(trifluoromethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine is Cc1sc(C)c2c1OCC(C(F)(F)F)O2.
What is the InChIKey of 5,7-dimethyl-3-(trifluoromethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The InChIKey is ONTQCFZCCIDFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3O2S/c1-4-7-8(5(2)15-4)14-6(3-13-7)9(10,11)12/h6H,3H2,1-2H3.
What are the key properties of 5,7-dimethyl-3-(trifluoromethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
5,7-dimethyl-3-(trifluoromethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine has a molecular weight of 238.23 g/mol, XLogP of 3.07, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-3-(trifluoromethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine is sourced from PubChem (CID 145344236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).