3,5-bis(fluorosulfonyloxy)benzenesulfonyl fluoride

C6H3F3O8S3 — CID 165389057

IUPAC3,5-bis(fluorosulfonyloxy)benzenesulfonyl fluoride
SMILESO=S(=O)(F)Oc1cc(OS(=O)(=O)F)cc(S(=O)(=O)F)c1
InChIInChI=1S/C6H3F3O8S3/c7-18(10,11)6-2-4(16-19(8,12)13)1-5(3-6)17-20(9,14)15/h1-3H
InChIKeyUXMKGRUTWATVLF-UHFFFAOYSA-N
MW356.28 g/mol
LogP0.53
Rot. Bonds5

About 3,5-bis(fluorosulfonyloxy)benzenesulfonyl fluoride

3,5-bis(fluorosulfonyloxy)benzenesulfonyl fluoride (PubChem CID 165389057) has the molecular formula C6H3F3O8S3 and a molecular weight of 356.28 g/mol. Its IUPAC name is 3,5-bis(fluorosulfonyloxy)benzenesulfonyl fluoride.

Molecular Properties

Compound Name3,5-bis(fluorosulfonyloxy)benzenesulfonyl fluoride
PubChem CID165389057
Molecular FormulaC6H3F3O8S3
Molecular Weight356.28 g/mol
Exact Mass355.89
IUPAC Name3,5-bis(fluorosulfonyloxy)benzenesulfonyl fluoride
SMILESO=S(=O)(F)Oc1cc(OS(=O)(=O)F)cc(S(=O)(=O)F)c1
InChIInChI=1S/C6H3F3O8S3/c7-18(10,11)6-2-4(16-19(8,12)13)1-5(3-6)17-20(9,14)15/h1-3H
InChIKeyUXMKGRUTWATVLF-UHFFFAOYSA-N
XLogP0.53
TPSA120.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.28
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1,4-bis(fluorosulfonyloxy)benzene
CID 118561819
3,5-difluorobenzenesulfonyl fluoride
CID 14195261
4-fluorosulfonyloxypyridine
CID 86171970
5-aminobenzene-1,3-disulfonyl fluoride
CID 19369074
3,5-dimethylbenzenesulfonyl fluoride
CID 86062029
[3,5-bis(trifluoromethylsulfonyloxy)phenyl] trifluoromethanesulfonate
CID 19421193
5-fluorosulfonyloxy-2-methylpyridine
CID 118408610
1-fluorosulfonyloxy-3-(trifluoromethyl)benzene
CID 71651266
4-fluorosulfonyloxy-1-(4-fluorosulfonyloxy-2-hydroxybenzoyl)-2-hydroxybenzene
CID 170838858
(4-fluorosulfonyloxyphenyl) cyanate
CID 144973771
1-fluorosulfonyloxy-4-(hydroxymethyl)benzene
CID 137402069
4-hydroxy-3,5-dimethylbenzenesulfonyl fluoride
CID 130033661

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(fluorosulfonyloxy)benzenesulfonyl fluoride?
The IUPAC name of 3,5-bis(fluorosulfonyloxy)benzenesulfonyl fluoride (CID 165389057) is 3,5-bis(fluorosulfonyloxy)benzenesulfonyl fluoride.
What is the SMILES notation for 3,5-bis(fluorosulfonyloxy)benzenesulfonyl fluoride?
The canonical SMILES for 3,5-bis(fluorosulfonyloxy)benzenesulfonyl fluoride is O=S(=O)(F)Oc1cc(OS(=O)(=O)F)cc(S(=O)(=O)F)c1.
What is the InChIKey of 3,5-bis(fluorosulfonyloxy)benzenesulfonyl fluoride?
The InChIKey is UXMKGRUTWATVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F3O8S3/c7-18(10,11)6-2-4(16-19(8,12)13)1-5(3-6)17-20(9,14)15/h1-3H.
What are the key properties of 3,5-bis(fluorosulfonyloxy)benzenesulfonyl fluoride?
3,5-bis(fluorosulfonyloxy)benzenesulfonyl fluoride has a molecular weight of 356.28 g/mol, XLogP of 0.53, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(fluorosulfonyloxy)benzenesulfonyl fluoride is sourced from PubChem (CID 165389057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).