2-cyano-1-fluorosulfonyloxynaphthalene

C11H6FNO3S — CID 154879945

IUPAC2-cyano-1-fluorosulfonyloxynaphthalene
SMILESN#Cc1ccc2ccccc2c1OS(=O)(=O)F
InChIInChI=1S/C11H6FNO3S/c12-17(14,15)16-11-9(7-13)6-5-8-3-1-2-4-10(8)11/h1-6H
InChIKeyDKZQFKAFGOVAHL-UHFFFAOYSA-N
MW251.24 g/mol
LogP2.30
Rot. Bonds2

About 2-cyano-1-fluorosulfonyloxynaphthalene

2-cyano-1-fluorosulfonyloxynaphthalene (PubChem CID 154879945) has the molecular formula C11H6FNO3S and a molecular weight of 251.24 g/mol. Its IUPAC name is 2-cyano-1-fluorosulfonyloxynaphthalene.

Molecular Properties

Compound Name2-cyano-1-fluorosulfonyloxynaphthalene
PubChem CID154879945
Molecular FormulaC11H6FNO3S
Molecular Weight251.24 g/mol
Exact Mass251.01
IUPAC Name2-cyano-1-fluorosulfonyloxynaphthalene
SMILESN#Cc1ccc2ccccc2c1OS(=O)(=O)F
InChIInChI=1S/C11H6FNO3S/c12-17(14,15)16-11-9(7-13)6-5-8-3-1-2-4-10(8)11/h1-6H
InChIKeyDKZQFKAFGOVAHL-UHFFFAOYSA-N
XLogP2.30
TPSA67.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-1-fluorosulfonyloxynaphthalene?
The IUPAC name of 2-cyano-1-fluorosulfonyloxynaphthalene (CID 154879945) is 2-cyano-1-fluorosulfonyloxynaphthalene.
What is the SMILES notation for 2-cyano-1-fluorosulfonyloxynaphthalene?
The canonical SMILES for 2-cyano-1-fluorosulfonyloxynaphthalene is N#Cc1ccc2ccccc2c1OS(=O)(=O)F.
What is the InChIKey of 2-cyano-1-fluorosulfonyloxynaphthalene?
The InChIKey is DKZQFKAFGOVAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6FNO3S/c12-17(14,15)16-11-9(7-13)6-5-8-3-1-2-4-10(8)11/h1-6H.
What are the key properties of 2-cyano-1-fluorosulfonyloxynaphthalene?
2-cyano-1-fluorosulfonyloxynaphthalene has a molecular weight of 251.24 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-1-fluorosulfonyloxynaphthalene is sourced from PubChem (CID 154879945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).