fluoro 2-naphthalen-2-yloxyethanesulfonate

C12H11FO4S — CID 130225204

IUPACfluoro 2-naphthalen-2-yloxyethanesulfonate
SMILESO=S(=O)(CCOc1ccc2ccccc2c1)OF
InChIInChI=1S/C12H11FO4S/c13-17-18(14,15)8-7-16-12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9H,7-8H2
InChIKeyYXCMSLROIFGJNH-UHFFFAOYSA-N
MW270.28 g/mol
LogP2.45
Rot. Bonds5

About fluoro 2-naphthalen-2-yloxyethanesulfonate

fluoro 2-naphthalen-2-yloxyethanesulfonate (PubChem CID 130225204) has the molecular formula C12H11FO4S and a molecular weight of 270.28 g/mol. Its IUPAC name is fluoro 2-naphthalen-2-yloxyethanesulfonate.

Molecular Properties

Compound Namefluoro 2-naphthalen-2-yloxyethanesulfonate
PubChem CID130225204
Molecular FormulaC12H11FO4S
Molecular Weight270.28 g/mol
Exact Mass270.04
IUPAC Namefluoro 2-naphthalen-2-yloxyethanesulfonate
SMILESO=S(=O)(CCOc1ccc2ccccc2c1)OF
InChIInChI=1S/C12H11FO4S/c13-17-18(14,15)8-7-16-12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9H,7-8H2
InChIKeyYXCMSLROIFGJNH-UHFFFAOYSA-N
XLogP2.45
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of fluoro 2-naphthalen-2-yloxyethanesulfonate?
The IUPAC name of fluoro 2-naphthalen-2-yloxyethanesulfonate (CID 130225204) is fluoro 2-naphthalen-2-yloxyethanesulfonate.
What is the SMILES notation for fluoro 2-naphthalen-2-yloxyethanesulfonate?
The canonical SMILES for fluoro 2-naphthalen-2-yloxyethanesulfonate is O=S(=O)(CCOc1ccc2ccccc2c1)OF.
What is the InChIKey of fluoro 2-naphthalen-2-yloxyethanesulfonate?
The InChIKey is YXCMSLROIFGJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FO4S/c13-17-18(14,15)8-7-16-12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9H,7-8H2.
What are the key properties of fluoro 2-naphthalen-2-yloxyethanesulfonate?
fluoro 2-naphthalen-2-yloxyethanesulfonate has a molecular weight of 270.28 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 2-naphthalen-2-yloxyethanesulfonate is sourced from PubChem (CID 130225204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).