2-(4-fluoro-3-methylsulfanylphenyl)-2-methyl-1,3-dioxolane

C11H13FO2S — CID 171367712

IUPAC2-(4-fluoro-3-methylsulfanylphenyl)-2-methyl-1,3-dioxolane
SMILESCSc1cc(C2(C)OCCO2)ccc1F
InChIInChI=1S/C11H13FO2S/c1-11(13-5-6-14-11)8-3-4-9(12)10(7-8)15-2/h3-4,7H,5-6H2,1-2H3
InChIKeyKOYDPABCJFAYFQ-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.77
Rot. Bonds2

About 2-(4-fluoro-3-methylsulfanylphenyl)-2-methyl-1,3-dioxolane

2-(4-fluoro-3-methylsulfanylphenyl)-2-methyl-1,3-dioxolane (PubChem CID 171367712) has the molecular formula C11H13FO2S and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-(4-fluoro-3-methylsulfanylphenyl)-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-(4-fluoro-3-methylsulfanylphenyl)-2-methyl-1,3-dioxolane
PubChem CID171367712
Molecular FormulaC11H13FO2S
Molecular Weight228.29 g/mol
Exact Mass228.06
IUPAC Name2-(4-fluoro-3-methylsulfanylphenyl)-2-methyl-1,3-dioxolane
SMILESCSc1cc(C2(C)OCCO2)ccc1F
InChIInChI=1S/C11H13FO2S/c1-11(13-5-6-14-11)8-3-4-9(12)10(7-8)15-2/h3-4,7H,5-6H2,1-2H3
InChIKeyKOYDPABCJFAYFQ-UHFFFAOYSA-N
XLogP2.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-methylsulfanylphenyl)-2-methyl-1,3-dioxolane?
The IUPAC name of 2-(4-fluoro-3-methylsulfanylphenyl)-2-methyl-1,3-dioxolane (CID 171367712) is 2-(4-fluoro-3-methylsulfanylphenyl)-2-methyl-1,3-dioxolane.
What is the SMILES notation for 2-(4-fluoro-3-methylsulfanylphenyl)-2-methyl-1,3-dioxolane?
The canonical SMILES for 2-(4-fluoro-3-methylsulfanylphenyl)-2-methyl-1,3-dioxolane is CSc1cc(C2(C)OCCO2)ccc1F.
What is the InChIKey of 2-(4-fluoro-3-methylsulfanylphenyl)-2-methyl-1,3-dioxolane?
The InChIKey is KOYDPABCJFAYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO2S/c1-11(13-5-6-14-11)8-3-4-9(12)10(7-8)15-2/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 2-(4-fluoro-3-methylsulfanylphenyl)-2-methyl-1,3-dioxolane?
2-(4-fluoro-3-methylsulfanylphenyl)-2-methyl-1,3-dioxolane has a molecular weight of 228.29 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-methylsulfanylphenyl)-2-methyl-1,3-dioxolane is sourced from PubChem (CID 171367712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).