1-chloro-3-fluorosulfonyloxybenzene

C6H4ClFO3S — CID 119097678

IUPAC1-chloro-3-fluorosulfonyloxybenzene
SMILESO=S(=O)(F)Oc1cccc(Cl)c1
InChIInChI=1S/C6H4ClFO3S/c7-5-2-1-3-6(4-5)11-12(8,9)10/h1-4H
InChIKeyFRCJVFXBOJRRLH-UHFFFAOYSA-N
MW210.61 g/mol
LogP1.93
Rot. Bonds2

About 1-chloro-3-fluorosulfonyloxybenzene

1-chloro-3-fluorosulfonyloxybenzene (PubChem CID 119097678) has the molecular formula C6H4ClFO3S and a molecular weight of 210.61 g/mol. Its IUPAC name is 1-chloro-3-fluorosulfonyloxybenzene.

Molecular Properties

Compound Name1-chloro-3-fluorosulfonyloxybenzene
PubChem CID119097678
Molecular FormulaC6H4ClFO3S
Molecular Weight210.61 g/mol
Exact Mass209.96
IUPAC Name1-chloro-3-fluorosulfonyloxybenzene
SMILESO=S(=O)(F)Oc1cccc(Cl)c1
InChIInChI=1S/C6H4ClFO3S/c7-5-2-1-3-6(4-5)11-12(8,9)10/h1-4H
InChIKeyFRCJVFXBOJRRLH-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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Related Compounds

3-Chlorophenol
CID 7933
Phenyl chloranesulfonate
CID 10856328
4-Chlorophenyl Sulfamate
CID 10104483
Phenyl fluoranesulfonate
CID 67610
3-Chloro-4-fluorophenol
CID 75790
2-Chlorophenyl Trifluoromethanesulfonate
CID 581421
4-Chlorophenyl trifluoromethanesulphonate
CID 581424
3-Chloro-2-fluorophenol
CID 2773712
4-Chlorophenyl chloranesulfonate
CID 12741185
5-Chloro-2-fluorophenol
CID 22482821
3-Chlorophenyl sulfamate
CID 19108716
3-Chlorophenyl trifluoromethanesulfonate
CID 13155249

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-fluorosulfonyloxybenzene?
The IUPAC name of 1-chloro-3-fluorosulfonyloxybenzene (CID 119097678) is 1-chloro-3-fluorosulfonyloxybenzene.
What is the SMILES notation for 1-chloro-3-fluorosulfonyloxybenzene?
The canonical SMILES for 1-chloro-3-fluorosulfonyloxybenzene is O=S(=O)(F)Oc1cccc(Cl)c1.
What is the InChIKey of 1-chloro-3-fluorosulfonyloxybenzene?
The InChIKey is FRCJVFXBOJRRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClFO3S/c7-5-2-1-3-6(4-5)11-12(8,9)10/h1-4H.
What are the key properties of 1-chloro-3-fluorosulfonyloxybenzene?
1-chloro-3-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-3-fluorosulfonyloxybenzene is sourced from PubChem (CID 119097678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).