7-fluoro-4-methylsulfonylspiro[1,2-dihydroindene-3,2'-1,3-dioxole]

C12H11FO4S — CID 141436554

IUPAC7-fluoro-4-methylsulfonylspiro[1,2-dihydroindene-3,2'-1,3-dioxole]
SMILESCS(=O)(=O)c1ccc(F)c2c1C1(CC2)OC=CO1
InChIInChI=1S/C12H11FO4S/c1-18(14,15)10-3-2-9(13)8-4-5-12(11(8)10)16-6-7-17-12/h2-3,6-7H,4-5H2,1H3
InChIKeyYDFSGKPMSWVDML-UHFFFAOYSA-N
MW270.28 g/mol
LogP1.85
Rot. Bonds1

About 7-fluoro-4-methylsulfonylspiro[1,2-dihydroindene-3,2'-1,3-dioxole]

7-fluoro-4-methylsulfonylspiro[1,2-dihydroindene-3,2'-1,3-dioxole] (PubChem CID 141436554) has the molecular formula C12H11FO4S and a molecular weight of 270.28 g/mol. Its IUPAC name is 7-fluoro-4-methylsulfonylspiro[1,2-dihydroindene-3,2'-1,3-dioxole].

Molecular Properties

Compound Name7-fluoro-4-methylsulfonylspiro[1,2-dihydroindene-3,2'-1,3-dioxole]
PubChem CID141436554
Molecular FormulaC12H11FO4S
Molecular Weight270.28 g/mol
Exact Mass270.04
IUPAC Name7-fluoro-4-methylsulfonylspiro[1,2-dihydroindene-3,2'-1,3-dioxole]
SMILESCS(=O)(=O)c1ccc(F)c2c1C1(CC2)OC=CO1
InChIInChI=1S/C12H11FO4S/c1-18(14,15)10-3-2-9(13)8-4-5-12(11(8)10)16-6-7-17-12/h2-3,6-7H,4-5H2,1H3
InChIKeyYDFSGKPMSWVDML-UHFFFAOYSA-N
XLogP1.85
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-methylsulfonylspiro[1,2-dihydroindene-3,2'-1,3-dioxole]?
The IUPAC name of 7-fluoro-4-methylsulfonylspiro[1,2-dihydroindene-3,2'-1,3-dioxole] (CID 141436554) is 7-fluoro-4-methylsulfonylspiro[1,2-dihydroindene-3,2'-1,3-dioxole].
What is the SMILES notation for 7-fluoro-4-methylsulfonylspiro[1,2-dihydroindene-3,2'-1,3-dioxole]?
The canonical SMILES for 7-fluoro-4-methylsulfonylspiro[1,2-dihydroindene-3,2'-1,3-dioxole] is CS(=O)(=O)c1ccc(F)c2c1C1(CC2)OC=CO1.
What is the InChIKey of 7-fluoro-4-methylsulfonylspiro[1,2-dihydroindene-3,2'-1,3-dioxole]?
The InChIKey is YDFSGKPMSWVDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FO4S/c1-18(14,15)10-3-2-9(13)8-4-5-12(11(8)10)16-6-7-17-12/h2-3,6-7H,4-5H2,1H3.
What are the key properties of 7-fluoro-4-methylsulfonylspiro[1,2-dihydroindene-3,2'-1,3-dioxole]?
7-fluoro-4-methylsulfonylspiro[1,2-dihydroindene-3,2'-1,3-dioxole] has a molecular weight of 270.28 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-methylsulfonylspiro[1,2-dihydroindene-3,2'-1,3-dioxole] is sourced from PubChem (CID 141436554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).