1-chloro-4-fluorosulfonyloxybenzene

C6H4ClFO3S — CID 119098789

IUPAC1-chloro-4-fluorosulfonyloxybenzene
SMILESO=S(=O)(F)Oc1ccc(Cl)cc1
InChIInChI=1S/C6H4ClFO3S/c7-5-1-3-6(4-2-5)11-12(8,9)10/h1-4H
InChIKeyHFIIWQPDFQIATN-UHFFFAOYSA-N
MW210.61 g/mol
LogP1.93
Rot. Bonds2

About 1-chloro-4-fluorosulfonyloxybenzene

1-chloro-4-fluorosulfonyloxybenzene (PubChem CID 119098789) has the molecular formula C6H4ClFO3S and a molecular weight of 210.61 g/mol. Its IUPAC name is 1-chloro-4-fluorosulfonyloxybenzene.

Molecular Properties

Compound Name1-chloro-4-fluorosulfonyloxybenzene
PubChem CID119098789
Molecular FormulaC6H4ClFO3S
Molecular Weight210.61 g/mol
Exact Mass209.96
IUPAC Name1-chloro-4-fluorosulfonyloxybenzene
SMILESO=S(=O)(F)Oc1ccc(Cl)cc1
InChIInChI=1S/C6H4ClFO3S/c7-5-1-3-6(4-2-5)11-12(8,9)10/h1-4H
InChIKeyHFIIWQPDFQIATN-UHFFFAOYSA-N
XLogP1.93
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.61
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-fluorosulfonyloxybenzene?
The IUPAC name of 1-chloro-4-fluorosulfonyloxybenzene (CID 119098789) is 1-chloro-4-fluorosulfonyloxybenzene.
What is the SMILES notation for 1-chloro-4-fluorosulfonyloxybenzene?
The canonical SMILES for 1-chloro-4-fluorosulfonyloxybenzene is O=S(=O)(F)Oc1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-fluorosulfonyloxybenzene?
The InChIKey is HFIIWQPDFQIATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClFO3S/c7-5-1-3-6(4-2-5)11-12(8,9)10/h1-4H.
What are the key properties of 1-chloro-4-fluorosulfonyloxybenzene?
1-chloro-4-fluorosulfonyloxybenzene has a molecular weight of 210.61 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-fluorosulfonyloxybenzene is sourced from PubChem (CID 119098789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).