4-fluorosulfonyloxy-2-oxochromene

C9H5FO5S — CID 121429839

IUPAC4-fluorosulfonyloxy-2-oxochromene
SMILESO=c1cc(OS(=O)(=O)F)c2ccccc2o1
InChIInChI=1S/C9H5FO5S/c10-16(12,13)15-8-5-9(11)14-7-4-2-1-3-6(7)8/h1-5H
InChIKeyFTSJYGNFGLHHNG-UHFFFAOYSA-N
MW244.20 g/mol
LogP1.39
Rot. Bonds2

About 4-fluorosulfonyloxy-2-oxochromene

4-fluorosulfonyloxy-2-oxochromene (PubChem CID 121429839) has the molecular formula C9H5FO5S and a molecular weight of 244.20 g/mol. Its IUPAC name is 4-fluorosulfonyloxy-2-oxochromene.

Molecular Properties

Compound Name4-fluorosulfonyloxy-2-oxochromene
PubChem CID121429839
Molecular FormulaC9H5FO5S
Molecular Weight244.20 g/mol
Exact Mass243.98
IUPAC Name4-fluorosulfonyloxy-2-oxochromene
SMILESO=c1cc(OS(=O)(=O)F)c2ccccc2o1
InChIInChI=1S/C9H5FO5S/c10-16(12,13)15-8-5-9(11)14-7-4-2-1-3-6(7)8/h1-5H
InChIKeyFTSJYGNFGLHHNG-UHFFFAOYSA-N
XLogP1.39
TPSA73.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.20
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluorosulfonyloxy-2-oxochromene?
The IUPAC name of 4-fluorosulfonyloxy-2-oxochromene (CID 121429839) is 4-fluorosulfonyloxy-2-oxochromene.
What is the SMILES notation for 4-fluorosulfonyloxy-2-oxochromene?
The canonical SMILES for 4-fluorosulfonyloxy-2-oxochromene is O=c1cc(OS(=O)(=O)F)c2ccccc2o1.
What is the InChIKey of 4-fluorosulfonyloxy-2-oxochromene?
The InChIKey is FTSJYGNFGLHHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5FO5S/c10-16(12,13)15-8-5-9(11)14-7-4-2-1-3-6(7)8/h1-5H.
What are the key properties of 4-fluorosulfonyloxy-2-oxochromene?
4-fluorosulfonyloxy-2-oxochromene has a molecular weight of 244.20 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluorosulfonyloxy-2-oxochromene is sourced from PubChem (CID 121429839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).