2-(2-fluoro-5-methylsulfinylphenyl)-1,3-dioxolane

C10H11FO3S — CID 118424923

IUPAC2-(2-fluoro-5-methylsulfinylphenyl)-1,3-dioxolane
SMILESCS(=O)c1ccc(F)c(C2OCCO2)c1
InChIInChI=1S/C10H11FO3S/c1-15(12)7-2-3-9(11)8(6-7)10-13-4-5-14-10/h2-3,6,10H,4-5H2,1H3
InChIKeyGSLIGMTZQPMVKZ-UHFFFAOYSA-N
MW230.26 g/mol
LogP1.61
Rot. Bonds2

About 2-(2-fluoro-5-methylsulfinylphenyl)-1,3-dioxolane

2-(2-fluoro-5-methylsulfinylphenyl)-1,3-dioxolane (PubChem CID 118424923) has the molecular formula C10H11FO3S and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-(2-fluoro-5-methylsulfinylphenyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(2-fluoro-5-methylsulfinylphenyl)-1,3-dioxolane
PubChem CID118424923
Molecular FormulaC10H11FO3S
Molecular Weight230.26 g/mol
Exact Mass230.04
IUPAC Name2-(2-fluoro-5-methylsulfinylphenyl)-1,3-dioxolane
SMILESCS(=O)c1ccc(F)c(C2OCCO2)c1
InChIInChI=1S/C10H11FO3S/c1-15(12)7-2-3-9(11)8(6-7)10-13-4-5-14-10/h2-3,6,10H,4-5H2,1H3
InChIKeyGSLIGMTZQPMVKZ-UHFFFAOYSA-N
XLogP1.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-5-methylsulfinylphenyl)-1,3-dioxolane?
The IUPAC name of 2-(2-fluoro-5-methylsulfinylphenyl)-1,3-dioxolane (CID 118424923) is 2-(2-fluoro-5-methylsulfinylphenyl)-1,3-dioxolane.
What is the SMILES notation for 2-(2-fluoro-5-methylsulfinylphenyl)-1,3-dioxolane?
The canonical SMILES for 2-(2-fluoro-5-methylsulfinylphenyl)-1,3-dioxolane is CS(=O)c1ccc(F)c(C2OCCO2)c1.
What is the InChIKey of 2-(2-fluoro-5-methylsulfinylphenyl)-1,3-dioxolane?
The InChIKey is GSLIGMTZQPMVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO3S/c1-15(12)7-2-3-9(11)8(6-7)10-13-4-5-14-10/h2-3,6,10H,4-5H2,1H3.
What are the key properties of 2-(2-fluoro-5-methylsulfinylphenyl)-1,3-dioxolane?
2-(2-fluoro-5-methylsulfinylphenyl)-1,3-dioxolane has a molecular weight of 230.26 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-5-methylsulfinylphenyl)-1,3-dioxolane is sourced from PubChem (CID 118424923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).