1-fluoro-2-(2-fluorophenyl)sulfonylbenzene

C12H8F2O2S — CID 15741789

IUPAC1-fluoro-2-(2-fluorophenyl)sulfonylbenzene
SMILESO=S(=O)(c1ccccc1F)c1ccccc1F
InChIInChI=1S/C12H8F2O2S/c13-9-5-1-3-7-11(9)17(15,16)12-8-4-2-6-10(12)14/h1-8H
InChIKeyDQFSSJGXWZMREB-UHFFFAOYSA-N
MW254.26 g/mol
LogP2.80
Rot. Bonds2

About 1-fluoro-2-(2-fluorophenyl)sulfonylbenzene

1-fluoro-2-(2-fluorophenyl)sulfonylbenzene (PubChem CID 15741789) has the molecular formula C12H8F2O2S and a molecular weight of 254.26 g/mol. Its IUPAC name is 1-fluoro-2-(2-fluorophenyl)sulfonylbenzene.

Molecular Properties

Compound Name1-fluoro-2-(2-fluorophenyl)sulfonylbenzene
PubChem CID15741789
Molecular FormulaC12H8F2O2S
Molecular Weight254.26 g/mol
Exact Mass254.02
IUPAC Name1-fluoro-2-(2-fluorophenyl)sulfonylbenzene
SMILESO=S(=O)(c1ccccc1F)c1ccccc1F
InChIInChI=1S/C12H8F2O2S/c13-9-5-1-3-7-11(9)17(15,16)12-8-4-2-6-10(12)14/h1-8H
InChIKeyDQFSSJGXWZMREB-UHFFFAOYSA-N
XLogP2.80
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-(2-fluorophenyl)sulfonylbenzene?
The IUPAC name of 1-fluoro-2-(2-fluorophenyl)sulfonylbenzene (CID 15741789) is 1-fluoro-2-(2-fluorophenyl)sulfonylbenzene.
What is the SMILES notation for 1-fluoro-2-(2-fluorophenyl)sulfonylbenzene?
The canonical SMILES for 1-fluoro-2-(2-fluorophenyl)sulfonylbenzene is O=S(=O)(c1ccccc1F)c1ccccc1F.
What is the InChIKey of 1-fluoro-2-(2-fluorophenyl)sulfonylbenzene?
The InChIKey is DQFSSJGXWZMREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2O2S/c13-9-5-1-3-7-11(9)17(15,16)12-8-4-2-6-10(12)14/h1-8H.
What are the key properties of 1-fluoro-2-(2-fluorophenyl)sulfonylbenzene?
1-fluoro-2-(2-fluorophenyl)sulfonylbenzene has a molecular weight of 254.26 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-(2-fluorophenyl)sulfonylbenzene is sourced from PubChem (CID 15741789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).