1-fluoro-4-methylsulfonylnaphthalene

C11H9FO2S — CID 2769641

IUPAC1-fluoro-4-methylsulfonylnaphthalene
SMILESCS(=O)(=O)c1ccc(F)c2ccccc12
InChIInChI=1S/C11H9FO2S/c1-15(13,14)11-7-6-10(12)8-4-2-3-5-9(8)11/h2-7H,1H3
InChIKeyBFJDLILZBCRIPN-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.38
Rot. Bonds1

About 1-fluoro-4-methylsulfonylnaphthalene

1-fluoro-4-methylsulfonylnaphthalene (PubChem CID 2769641) has the molecular formula C11H9FO2S and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-fluoro-4-methylsulfonylnaphthalene.

Molecular Properties

Compound Name1-fluoro-4-methylsulfonylnaphthalene
PubChem CID2769641
Molecular FormulaC11H9FO2S
Molecular Weight224.26 g/mol
Exact Mass224.03
IUPAC Name1-fluoro-4-methylsulfonylnaphthalene
SMILESCS(=O)(=O)c1ccc(F)c2ccccc12
InChIInChI=1S/C11H9FO2S/c1-15(13,14)11-7-6-10(12)8-4-2-3-5-9(8)11/h2-7H,1H3
InChIKeyBFJDLILZBCRIPN-UHFFFAOYSA-N
XLogP2.38
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-methylsulfonylnaphthalene?
The IUPAC name of 1-fluoro-4-methylsulfonylnaphthalene (CID 2769641) is 1-fluoro-4-methylsulfonylnaphthalene.
What is the SMILES notation for 1-fluoro-4-methylsulfonylnaphthalene?
The canonical SMILES for 1-fluoro-4-methylsulfonylnaphthalene is CS(=O)(=O)c1ccc(F)c2ccccc12.
What is the InChIKey of 1-fluoro-4-methylsulfonylnaphthalene?
The InChIKey is BFJDLILZBCRIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FO2S/c1-15(13,14)11-7-6-10(12)8-4-2-3-5-9(8)11/h2-7H,1H3.
What are the key properties of 1-fluoro-4-methylsulfonylnaphthalene?
1-fluoro-4-methylsulfonylnaphthalene has a molecular weight of 224.26 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-methylsulfonylnaphthalene is sourced from PubChem (CID 2769641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).