1-fluorosulfonyloxy-4-methoxybenzene

C7H7FO4S — CID 14897546

IUPAC1-fluorosulfonyloxy-4-methoxybenzene
SMILESCOc1ccc(OS(=O)(=O)F)cc1
InChIInChI=1S/C7H7FO4S/c1-11-6-2-4-7(5-3-6)12-13(8,9)10/h2-5H,1H3
InChIKeyKRFXUAVCNYFMJE-UHFFFAOYSA-N
MW206.19 g/mol
LogP1.29
Rot. Bonds3

About 1-fluorosulfonyloxy-4-methoxybenzene

1-fluorosulfonyloxy-4-methoxybenzene (PubChem CID 14897546) has the molecular formula C7H7FO4S and a molecular weight of 206.19 g/mol. Its IUPAC name is 1-fluorosulfonyloxy-4-methoxybenzene.

Molecular Properties

Compound Name1-fluorosulfonyloxy-4-methoxybenzene
PubChem CID14897546
Molecular FormulaC7H7FO4S
Molecular Weight206.19 g/mol
Exact Mass206.00
IUPAC Name1-fluorosulfonyloxy-4-methoxybenzene
SMILESCOc1ccc(OS(=O)(=O)F)cc1
InChIInChI=1S/C7H7FO4S/c1-11-6-2-4-7(5-3-6)12-13(8,9)10/h2-5H,1H3
InChIKeyKRFXUAVCNYFMJE-UHFFFAOYSA-N
XLogP1.29
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.19
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-fluorosulfonyloxy-4-methoxybenzene?
The IUPAC name of 1-fluorosulfonyloxy-4-methoxybenzene (CID 14897546) is 1-fluorosulfonyloxy-4-methoxybenzene.
What is the SMILES notation for 1-fluorosulfonyloxy-4-methoxybenzene?
The canonical SMILES for 1-fluorosulfonyloxy-4-methoxybenzene is COc1ccc(OS(=O)(=O)F)cc1.
What is the InChIKey of 1-fluorosulfonyloxy-4-methoxybenzene?
The InChIKey is KRFXUAVCNYFMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FO4S/c1-11-6-2-4-7(5-3-6)12-13(8,9)10/h2-5H,1H3.
What are the key properties of 1-fluorosulfonyloxy-4-methoxybenzene?
1-fluorosulfonyloxy-4-methoxybenzene has a molecular weight of 206.19 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluorosulfonyloxy-4-methoxybenzene is sourced from PubChem (CID 14897546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).