2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,2-difluoroacetic acid

C8H6F2O4S — CID 165490427

IUPAC2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,2-difluoroacetic acid
SMILESO=C(O)C(F)(F)c1scc2c1OCCO2
InChIInChI=1S/C8H6F2O4S/c9-8(10,7(11)12)6-5-4(3-15-6)13-1-2-14-5/h3H,1-2H2,(H,11,12)
InChIKeySSZULUAUNLAOEG-UHFFFAOYSA-N
MW236.19 g/mol
LogP1.70
Rot. Bonds2

About 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,2-difluoroacetic acid

2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,2-difluoroacetic acid (PubChem CID 165490427) has the molecular formula C8H6F2O4S and a molecular weight of 236.19 g/mol. Its IUPAC name is 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,2-difluoroacetic acid.

Molecular Properties

Compound Name2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,2-difluoroacetic acid
PubChem CID165490427
Molecular FormulaC8H6F2O4S
Molecular Weight236.19 g/mol
Exact Mass236.00
IUPAC Name2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,2-difluoroacetic acid
SMILESO=C(O)C(F)(F)c1scc2c1OCCO2
InChIInChI=1S/C8H6F2O4S/c9-8(10,7(11)12)6-5-4(3-15-6)13-1-2-14-5/h3H,1-2H2,(H,11,12)
InChIKeySSZULUAUNLAOEG-UHFFFAOYSA-N
XLogP1.70
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.19
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(trifluoromethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 134969073
2-chloro-1-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,2-difluoroethanone
CID 170999784
2,2,4,4-tetramethyl-3-(2,3,4,5-tetrahydrothieno[3,4-b][1,4]dioxocin-7-yl)pentan-3-ol
CID 11001471
3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)prop-2-enoic acid
CID 169461177
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
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
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
methyl 3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydroxypropanoate
CID 171865410
N,N'-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-ylmethyl)-N,N'-dimethylethane-1,2-diamine
CID 11036713
2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid
CID 117302508

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,2-difluoroacetic acid?
The IUPAC name of 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,2-difluoroacetic acid (CID 165490427) is 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,2-difluoroacetic acid.
What is the SMILES notation for 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,2-difluoroacetic acid?
The canonical SMILES for 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,2-difluoroacetic acid is O=C(O)C(F)(F)c1scc2c1OCCO2.
What is the InChIKey of 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,2-difluoroacetic acid?
The InChIKey is SSZULUAUNLAOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2O4S/c9-8(10,7(11)12)6-5-4(3-15-6)13-1-2-14-5/h3H,1-2H2,(H,11,12).
What are the key properties of 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,2-difluoroacetic acid?
2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,2-difluoroacetic acid has a molecular weight of 236.19 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,2-difluoroacetic acid is sourced from PubChem (CID 165490427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).