4-fluoro-4-methyl-1,3,2-dioxathiolane 2,2-dioxide

C3H5FO4S — CID 153305187

IUPAC4-fluoro-4-methyl-1,3,2-dioxathiolane 2,2-dioxide
SMILESCC1(F)COS(=O)(=O)O1
InChIInChI=1S/C3H5FO4S/c1-3(4)2-7-9(5,6)8-3/h2H2,1H3
InChIKeyRUBJOYHUGKHOOT-UHFFFAOYSA-N
MW156.13 g/mol
LogP-0.04
Rot. Bonds

About 4-fluoro-4-methyl-1,3,2-dioxathiolane 2,2-dioxide

4-fluoro-4-methyl-1,3,2-dioxathiolane 2,2-dioxide (PubChem CID 153305187) has the molecular formula C3H5FO4S and a molecular weight of 156.13 g/mol. Its IUPAC name is 4-fluoro-4-methyl-1,3,2-dioxathiolane 2,2-dioxide.

Molecular Properties

Compound Name4-fluoro-4-methyl-1,3,2-dioxathiolane 2,2-dioxide
PubChem CID153305187
Molecular FormulaC3H5FO4S
Molecular Weight156.13 g/mol
Exact Mass155.99
IUPAC Name4-fluoro-4-methyl-1,3,2-dioxathiolane 2,2-dioxide
SMILESCC1(F)COS(=O)(=O)O1
InChIInChI=1S/C3H5FO4S/c1-3(4)2-7-9(5,6)8-3/h2H2,1H3
InChIKeyRUBJOYHUGKHOOT-UHFFFAOYSA-N
XLogP-0.04
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.13
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-methyl-1,3,2-dioxathiolane 2,2-dioxide?
The IUPAC name of 4-fluoro-4-methyl-1,3,2-dioxathiolane 2,2-dioxide (CID 153305187) is 4-fluoro-4-methyl-1,3,2-dioxathiolane 2,2-dioxide.
What is the SMILES notation for 4-fluoro-4-methyl-1,3,2-dioxathiolane 2,2-dioxide?
The canonical SMILES for 4-fluoro-4-methyl-1,3,2-dioxathiolane 2,2-dioxide is CC1(F)COS(=O)(=O)O1.
What is the InChIKey of 4-fluoro-4-methyl-1,3,2-dioxathiolane 2,2-dioxide?
The InChIKey is RUBJOYHUGKHOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5FO4S/c1-3(4)2-7-9(5,6)8-3/h2H2,1H3.
What are the key properties of 4-fluoro-4-methyl-1,3,2-dioxathiolane 2,2-dioxide?
4-fluoro-4-methyl-1,3,2-dioxathiolane 2,2-dioxide has a molecular weight of 156.13 g/mol, XLogP of -0.04, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-methyl-1,3,2-dioxathiolane 2,2-dioxide is sourced from PubChem (CID 153305187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).