4-fluoro-5-methyl-1,3,2-dioxathiolane 2-oxide

C3H5FO3S — CID 118148723

IUPAC4-fluoro-5-methyl-1,3,2-dioxathiolane 2-oxide
SMILESCC1OS(=O)OC1F
InChIInChI=1S/C3H5FO3S/c1-2-3(4)7-8(5)6-2/h2-3H,1H3
InChIKeyXFXLFEAYDKITOZ-UHFFFAOYSA-N
MW140.13 g/mol
LogP0.30
Rot. Bonds

About 4-fluoro-5-methyl-1,3,2-dioxathiolane 2-oxide

4-fluoro-5-methyl-1,3,2-dioxathiolane 2-oxide (PubChem CID 118148723) has the molecular formula C3H5FO3S and a molecular weight of 140.13 g/mol. Its IUPAC name is 4-fluoro-5-methyl-1,3,2-dioxathiolane 2-oxide.

Molecular Properties

Compound Name4-fluoro-5-methyl-1,3,2-dioxathiolane 2-oxide
PubChem CID118148723
Molecular FormulaC3H5FO3S
Molecular Weight140.13 g/mol
Exact Mass139.99
IUPAC Name4-fluoro-5-methyl-1,3,2-dioxathiolane 2-oxide
SMILESCC1OS(=O)OC1F
InChIInChI=1S/C3H5FO3S/c1-2-3(4)7-8(5)6-2/h2-3H,1H3
InChIKeyXFXLFEAYDKITOZ-UHFFFAOYSA-N
XLogP0.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.13
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Propylene sulfite
CID 15117
4-(Fluoromethyl)-1,3,2lambda~4~-dioxathiolan-2-one
CID 13779203
4-Ethyl-5-fluoro-1,3,2-dioxathiolane 2-oxide
CID 118148719
4,5-Bis(fluoromethyl)-1,3,2-dioxathiolane 2-oxide
CID 118151972
4-(2-Fluoroethyl)-1,3,2-dioxathiolane 2-oxide
CID 118152022
4-Fluoro-5-(fluoromethyl)-1,3,2-dioxathiolane 2-oxide
CID 118152023
4-Fluoro-5-methyl-1,3,2-dioxathiolane 2,2-dioxide
CID 146298824
4-Fluoro-4-methyl-1,3,2-dioxathiolane 2,2-dioxide
CID 153305187
4-(Fluoromethyl)-1,3,2-dioxathiolane 2,2-dioxide
CID 170361089
(5S)-4-fluoro-5-methyl-1,3,2-dioxathiolane 2,2-dioxide
CID 174270302
1-Fluoropropan-2-yl sulfite
CID 174410711
(4R)-4-methyl-1,3,2-dioxathiolane 2-oxide
CID 131107979

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-methyl-1,3,2-dioxathiolane 2-oxide?
The IUPAC name of 4-fluoro-5-methyl-1,3,2-dioxathiolane 2-oxide (CID 118148723) is 4-fluoro-5-methyl-1,3,2-dioxathiolane 2-oxide.
What is the SMILES notation for 4-fluoro-5-methyl-1,3,2-dioxathiolane 2-oxide?
The canonical SMILES for 4-fluoro-5-methyl-1,3,2-dioxathiolane 2-oxide is CC1OS(=O)OC1F.
What is the InChIKey of 4-fluoro-5-methyl-1,3,2-dioxathiolane 2-oxide?
The InChIKey is XFXLFEAYDKITOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5FO3S/c1-2-3(4)7-8(5)6-2/h2-3H,1H3.
What are the key properties of 4-fluoro-5-methyl-1,3,2-dioxathiolane 2-oxide?
4-fluoro-5-methyl-1,3,2-dioxathiolane 2-oxide has a molecular weight of 140.13 g/mol, XLogP of 0.30, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-methyl-1,3,2-dioxathiolane 2-oxide is sourced from PubChem (CID 118148723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).