methyl 4-fluorofuro[2,3-b]furan-5-sulfonate

C7H5FO5S — CID 131973724

IUPACmethyl 4-fluorofuro[2,3-b]furan-5-sulfonate
SMILESCOS(=O)(=O)c1oc2occc2c1F
InChIInChI=1S/C7H5FO5S/c1-11-14(9,10)7-5(8)4-2-3-12-6(4)13-7/h2-3H,1H3
InChIKeyFVWQCADPWFVVKM-UHFFFAOYSA-N
MW220.18 g/mol
LogP1.50
Rot. Bonds2

About methyl 4-fluorofuro[2,3-b]furan-5-sulfonate

methyl 4-fluorofuro[2,3-b]furan-5-sulfonate (PubChem CID 131973724) has the molecular formula C7H5FO5S and a molecular weight of 220.18 g/mol. Its IUPAC name is methyl 4-fluorofuro[2,3-b]furan-5-sulfonate.

Molecular Properties

Compound Namemethyl 4-fluorofuro[2,3-b]furan-5-sulfonate
PubChem CID131973724
Molecular FormulaC7H5FO5S
Molecular Weight220.18 g/mol
Exact Mass219.98
IUPAC Namemethyl 4-fluorofuro[2,3-b]furan-5-sulfonate
SMILESCOS(=O)(=O)c1oc2occc2c1F
InChIInChI=1S/C7H5FO5S/c1-11-14(9,10)7-5(8)4-2-3-12-6(4)13-7/h2-3H,1H3
InChIKeyFVWQCADPWFVVKM-UHFFFAOYSA-N
XLogP1.50
TPSA69.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

Furo[2,3-b]furan
CID 17945614
5-Fluoro-3-methylfuro[2,3-b]furan
CID 129149170
5-Fluorofuro[2,3-b]furan
CID 129149178
5-Fluoro-4-methylfuro[2,3-b]furan
CID 129149183
4-Fluoro-5-methylsulfonylfuro[2,3-b]furan
CID 129149192
4,5-Difluorofuro[2,3-b]furan
CID 129149228
5-Methylsulfanylfuro[2,3-b]furan
CID 123294271
5-Methylsulfonylfuro[2,3-b]furan
CID 129149257
4-Methylfuro[2,3-b]furan
CID 167378516

Frequently Asked Questions

What is the IUPAC name of methyl 4-fluorofuro[2,3-b]furan-5-sulfonate?
The IUPAC name of methyl 4-fluorofuro[2,3-b]furan-5-sulfonate (CID 131973724) is methyl 4-fluorofuro[2,3-b]furan-5-sulfonate.
What is the SMILES notation for methyl 4-fluorofuro[2,3-b]furan-5-sulfonate?
The canonical SMILES for methyl 4-fluorofuro[2,3-b]furan-5-sulfonate is COS(=O)(=O)c1oc2occc2c1F.
What is the InChIKey of methyl 4-fluorofuro[2,3-b]furan-5-sulfonate?
The InChIKey is FVWQCADPWFVVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FO5S/c1-11-14(9,10)7-5(8)4-2-3-12-6(4)13-7/h2-3H,1H3.
What are the key properties of methyl 4-fluorofuro[2,3-b]furan-5-sulfonate?
methyl 4-fluorofuro[2,3-b]furan-5-sulfonate has a molecular weight of 220.18 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-fluorofuro[2,3-b]furan-5-sulfonate is sourced from PubChem (CID 131973724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).