1,4-bis(trifluoromethylsulfonyl)benzene

C8H4F6O4S2 — CID 1378216

IUPAC1,4-bis(trifluoromethylsulfonyl)benzene
SMILESO=S(=O)(c1ccc(S(=O)(=O)C(F)(F)F)cc1)C(F)(F)F
InChIInChI=1S/C8H4F6O4S2/c9-7(10,11)19(15,16)5-1-2-6(4-3-5)20(17,18)8(12,13)14/h1-4H
InChIKeyQOKPQFQQGFERIL-UHFFFAOYSA-N
MW342.24 g/mol
LogP2.27
Rot. Bonds2

About 1,4-bis(trifluoromethylsulfonyl)benzene

1,4-bis(trifluoromethylsulfonyl)benzene (PubChem CID 1378216) has the molecular formula C8H4F6O4S2 and a molecular weight of 342.24 g/mol. Its IUPAC name is 1,4-bis(trifluoromethylsulfonyl)benzene.

Molecular Properties

Compound Name1,4-bis(trifluoromethylsulfonyl)benzene
PubChem CID1378216
Molecular FormulaC8H4F6O4S2
Molecular Weight342.24 g/mol
Exact Mass341.95
IUPAC Name1,4-bis(trifluoromethylsulfonyl)benzene
SMILESO=S(=O)(c1ccc(S(=O)(=O)C(F)(F)F)cc1)C(F)(F)F
InChIInChI=1S/C8H4F6O4S2/c9-7(10,11)19(15,16)5-1-2-6(4-3-5)20(17,18)8(12,13)14/h1-4H
InChIKeyQOKPQFQQGFERIL-UHFFFAOYSA-N
XLogP2.27
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(trifluoromethylsulfonyl)benzene?
The IUPAC name of 1,4-bis(trifluoromethylsulfonyl)benzene (CID 1378216) is 1,4-bis(trifluoromethylsulfonyl)benzene.
What is the SMILES notation for 1,4-bis(trifluoromethylsulfonyl)benzene?
The canonical SMILES for 1,4-bis(trifluoromethylsulfonyl)benzene is O=S(=O)(c1ccc(S(=O)(=O)C(F)(F)F)cc1)C(F)(F)F.
What is the InChIKey of 1,4-bis(trifluoromethylsulfonyl)benzene?
The InChIKey is QOKPQFQQGFERIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F6O4S2/c9-7(10,11)19(15,16)5-1-2-6(4-3-5)20(17,18)8(12,13)14/h1-4H.
What are the key properties of 1,4-bis(trifluoromethylsulfonyl)benzene?
1,4-bis(trifluoromethylsulfonyl)benzene has a molecular weight of 342.24 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(trifluoromethylsulfonyl)benzene is sourced from PubChem (CID 1378216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).