2,3,5,6-tetrafluorobenzene-1,4-disulfonyl chloride

C6Cl2F4O4S2 — CID 154708455

IUPAC2,3,5,6-tetrafluorobenzene-1,4-disulfonyl chloride
SMILESO=S(=O)(Cl)c1c(F)c(F)c(S(=O)(=O)Cl)c(F)c1F
InChIInChI=1S/C6Cl2F4O4S2/c7-17(13,14)5-1(9)2(10)6(18(8,15)16)4(12)3(5)11
InChIKeyWAFFPGMUCAGELS-UHFFFAOYSA-N
MW347.09 g/mol
LogP2.10
Rot. Bonds2

About 2,3,5,6-tetrafluorobenzene-1,4-disulfonyl chloride

2,3,5,6-tetrafluorobenzene-1,4-disulfonyl chloride (PubChem CID 154708455) has the molecular formula C6Cl2F4O4S2 and a molecular weight of 347.09 g/mol. Its IUPAC name is 2,3,5,6-tetrafluorobenzene-1,4-disulfonyl chloride.

Molecular Properties

Compound Name2,3,5,6-tetrafluorobenzene-1,4-disulfonyl chloride
PubChem CID154708455
Molecular FormulaC6Cl2F4O4S2
Molecular Weight347.09 g/mol
Exact Mass345.86
IUPAC Name2,3,5,6-tetrafluorobenzene-1,4-disulfonyl chloride
SMILESO=S(=O)(Cl)c1c(F)c(F)c(S(=O)(=O)Cl)c(F)c1F
InChIInChI=1S/C6Cl2F4O4S2/c7-17(13,14)5-1(9)2(10)6(18(8,15)16)4(12)3(5)11
InChIKeyWAFFPGMUCAGELS-UHFFFAOYSA-N
XLogP2.10
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.09
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluorobenzene-1,4-disulfonyl chloride?
The IUPAC name of 2,3,5,6-tetrafluorobenzene-1,4-disulfonyl chloride (CID 154708455) is 2,3,5,6-tetrafluorobenzene-1,4-disulfonyl chloride.
What is the SMILES notation for 2,3,5,6-tetrafluorobenzene-1,4-disulfonyl chloride?
The canonical SMILES for 2,3,5,6-tetrafluorobenzene-1,4-disulfonyl chloride is O=S(=O)(Cl)c1c(F)c(F)c(S(=O)(=O)Cl)c(F)c1F.
What is the InChIKey of 2,3,5,6-tetrafluorobenzene-1,4-disulfonyl chloride?
The InChIKey is WAFFPGMUCAGELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6Cl2F4O4S2/c7-17(13,14)5-1(9)2(10)6(18(8,15)16)4(12)3(5)11.
What are the key properties of 2,3,5,6-tetrafluorobenzene-1,4-disulfonyl chloride?
2,3,5,6-tetrafluorobenzene-1,4-disulfonyl chloride has a molecular weight of 347.09 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluorobenzene-1,4-disulfonyl chloride is sourced from PubChem (CID 154708455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).