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

C7H5F3O2S — CID 134969073

IUPAC5-(trifluoromethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESFC(F)(F)c1scc2c1OCCO2
InChIInChI=1S/C7H5F3O2S/c8-7(9,10)6-5-4(3-13-6)11-1-2-12-5/h3H,1-2H2
InChIKeyBUPXIWUWOKPQIA-UHFFFAOYSA-N
MW210.18 g/mol
LogP2.54
Rot. Bonds

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

5-(trifluoromethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine (PubChem CID 134969073) has the molecular formula C7H5F3O2S and a molecular weight of 210.18 g/mol. Its IUPAC name is 5-(trifluoromethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine.

Molecular Properties

Compound Name5-(trifluoromethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
PubChem CID134969073
Molecular FormulaC7H5F3O2S
Molecular Weight210.18 g/mol
Exact Mass210.00
IUPAC Name5-(trifluoromethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESFC(F)(F)c1scc2c1OCCO2
InChIInChI=1S/C7H5F3O2S/c8-7(9,10)6-5-4(3-13-6)11-1-2-12-5/h3H,1-2H2
InChIKeyBUPXIWUWOKPQIA-UHFFFAOYSA-N
XLogP2.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(trifluoromethyl)-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

Related Compounds

2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,2-difluoroacetic acid
CID 165490427
5,7-bis[2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)butan-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 70848995
2,2,4,4-tetramethyl-3-(2,3,4,5-tetrahydrothieno[3,4-b][1,4]dioxocin-7-yl)pentan-3-ol
CID 11001471
2-chloro-1-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,2-difluoroethanone
CID 170999784
tris(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phosphane
CID 86053872
5-[(E)-prop-1-enyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 118281565
6-bromo-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepine
CID 96596041
N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-2,3-dihydro-1,4-benzodioxin-5-amine
CID 75496224
ethane;5-phenyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 143921758
5,7-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-d]pyridazine-1,4-dione
CID 101480670
N,N'-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-ylmethyl)-N,N'-dimethylethane-1,2-diamine
CID 11036713
4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-N,N-bis[4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenyl]aniline
CID 59696867

Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The IUPAC name of 5-(trifluoromethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine (CID 134969073) is 5-(trifluoromethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine.
What is the SMILES notation for 5-(trifluoromethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The canonical SMILES for 5-(trifluoromethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine is FC(F)(F)c1scc2c1OCCO2.
What is the InChIKey of 5-(trifluoromethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The InChIKey is BUPXIWUWOKPQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3O2S/c8-7(9,10)6-5-4(3-13-6)11-1-2-12-5/h3H,1-2H2.
What are the key properties of 5-(trifluoromethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
5-(trifluoromethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine has a molecular weight of 210.18 g/mol, XLogP of 2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine is sourced from PubChem (CID 134969073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).