1,4-bis(fluorosulfonyloxy)benzene

C6H4F2O6S2 — CID 118561819

IUPAC1,4-bis(fluorosulfonyloxy)benzene
SMILESO=S(=O)(F)Oc1ccc(OS(=O)(=O)F)cc1
InChIInChI=1S/C6H4F2O6S2/c7-15(9,10)13-5-1-2-6(4-3-5)14-16(8,11)12/h1-4H
InChIKeyOEJXDBMJMKHHMQ-UHFFFAOYSA-N
MW274.22 g/mol
LogP0.87
Rot. Bonds4

About 1,4-bis(fluorosulfonyloxy)benzene

1,4-bis(fluorosulfonyloxy)benzene (PubChem CID 118561819) has the molecular formula C6H4F2O6S2 and a molecular weight of 274.22 g/mol. Its IUPAC name is 1,4-bis(fluorosulfonyloxy)benzene.

Molecular Properties

Compound Name1,4-bis(fluorosulfonyloxy)benzene
PubChem CID118561819
Molecular FormulaC6H4F2O6S2
Molecular Weight274.22 g/mol
Exact Mass273.94
IUPAC Name1,4-bis(fluorosulfonyloxy)benzene
SMILESO=S(=O)(F)Oc1ccc(OS(=O)(=O)F)cc1
InChIInChI=1S/C6H4F2O6S2/c7-15(9,10)13-5-1-2-6(4-3-5)14-16(8,11)12/h1-4H
InChIKeyOEJXDBMJMKHHMQ-UHFFFAOYSA-N
XLogP0.87
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.22
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-fluorosulfonyloxypyridine
CID 86171970
1-fluorosulfonyloxy-4-(hydroxymethyl)benzene
CID 137402069
(4-fluorosulfonyloxyphenyl) cyanate
CID 144973771
1-(aminomethyl)-4-fluorosulfonyloxybenzene;hydrochloride
CID 170911916
1-ethenylsulfonyl-4-fluorosulfonyloxybenzene
CID 169258949
1-fluorosulfonyloxy-4-(2,2,2-trifluoroethoxy)benzene
CID 146049120
1-fluorosulfonyloxy-4-prop-2-enoxybenzene
CID 168819364
5-fluorosulfonyloxy-2-methylpyridine
CID 118408610
4-fluorosulfonyloxy-1-(4-fluorosulfonyloxy-2-hydroxybenzoyl)-2-hydroxybenzene
CID 170838858
[4-[(E)-2-(4-fluorosulfonyloxyphenyl)ethenyl]phenyl] sulfite
CID 129034652
3,5-bis(fluorosulfonyloxy)benzenesulfonyl fluoride
CID 165389057
2-amino-3-(4-fluorosulfonyloxyphenyl)propanoic acid
CID 130202342

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(fluorosulfonyloxy)benzene?
The IUPAC name of 1,4-bis(fluorosulfonyloxy)benzene (CID 118561819) is 1,4-bis(fluorosulfonyloxy)benzene.
What is the SMILES notation for 1,4-bis(fluorosulfonyloxy)benzene?
The canonical SMILES for 1,4-bis(fluorosulfonyloxy)benzene is O=S(=O)(F)Oc1ccc(OS(=O)(=O)F)cc1.
What is the InChIKey of 1,4-bis(fluorosulfonyloxy)benzene?
The InChIKey is OEJXDBMJMKHHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F2O6S2/c7-15(9,10)13-5-1-2-6(4-3-5)14-16(8,11)12/h1-4H.
What are the key properties of 1,4-bis(fluorosulfonyloxy)benzene?
1,4-bis(fluorosulfonyloxy)benzene has a molecular weight of 274.22 g/mol, XLogP of 0.87, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(fluorosulfonyloxy)benzene is sourced from PubChem (CID 118561819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).