4-fluoro-4H-1,3,2-dioxathiine 2,2-dioxide

C3H3FO4S — CID 146263750

IUPAC4-fluoro-4H-1,3,2-dioxathiine 2,2-dioxide
SMILESO=S1(=O)OC=CC(F)O1
InChIInChI=1S/C3H3FO4S/c4-3-1-2-7-9(5,6)8-3/h1-3H
InChIKeyQMVNSFUJPNQMSM-UHFFFAOYSA-N
MW154.12 g/mol
LogP0.09
Rot. Bonds

About 4-fluoro-4H-1,3,2-dioxathiine 2,2-dioxide

4-fluoro-4H-1,3,2-dioxathiine 2,2-dioxide (PubChem CID 146263750) has the molecular formula C3H3FO4S and a molecular weight of 154.12 g/mol. Its IUPAC name is 4-fluoro-4H-1,3,2-dioxathiine 2,2-dioxide.

Molecular Properties

Compound Name4-fluoro-4H-1,3,2-dioxathiine 2,2-dioxide
PubChem CID146263750
Molecular FormulaC3H3FO4S
Molecular Weight154.12 g/mol
Exact Mass153.97
IUPAC Name4-fluoro-4H-1,3,2-dioxathiine 2,2-dioxide
SMILESO=S1(=O)OC=CC(F)O1
InChIInChI=1S/C3H3FO4S/c4-3-1-2-7-9(5,6)8-3/h1-3H
InChIKeyQMVNSFUJPNQMSM-UHFFFAOYSA-N
XLogP0.09
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.12
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4H-1,3,2-dioxathiine 2,2-dioxide?
The IUPAC name of 4-fluoro-4H-1,3,2-dioxathiine 2,2-dioxide (CID 146263750) is 4-fluoro-4H-1,3,2-dioxathiine 2,2-dioxide.
What is the SMILES notation for 4-fluoro-4H-1,3,2-dioxathiine 2,2-dioxide?
The canonical SMILES for 4-fluoro-4H-1,3,2-dioxathiine 2,2-dioxide is O=S1(=O)OC=CC(F)O1.
What is the InChIKey of 4-fluoro-4H-1,3,2-dioxathiine 2,2-dioxide?
The InChIKey is QMVNSFUJPNQMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3FO4S/c4-3-1-2-7-9(5,6)8-3/h1-3H.
What are the key properties of 4-fluoro-4H-1,3,2-dioxathiine 2,2-dioxide?
4-fluoro-4H-1,3,2-dioxathiine 2,2-dioxide has a molecular weight of 154.12 g/mol, XLogP of 0.09, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4H-1,3,2-dioxathiine 2,2-dioxide is sourced from PubChem (CID 146263750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).