[bromo(difluoro)methyl]sulfonylbenzene

C7H5BrF2O2S — CID 11119175

IUPAC[bromo(difluoro)methyl]sulfonylbenzene
SMILESO=S(=O)(c1ccccc1)C(F)(F)Br
InChIInChI=1S/C7H5BrF2O2S/c8-7(9,10)13(11,12)6-4-2-1-3-5-6/h1-5H
InChIKeyVYNTWHUALGNGNU-UHFFFAOYSA-N
MW271.08 g/mol
LogP2.41
Rot. Bonds2

About [bromo(difluoro)methyl]sulfonylbenzene

[bromo(difluoro)methyl]sulfonylbenzene (PubChem CID 11119175) has the molecular formula C7H5BrF2O2S and a molecular weight of 271.08 g/mol. Its IUPAC name is [bromo(difluoro)methyl]sulfonylbenzene.

Molecular Properties

Compound Name[bromo(difluoro)methyl]sulfonylbenzene
PubChem CID11119175
Molecular FormulaC7H5BrF2O2S
Molecular Weight271.08 g/mol
Exact Mass269.92
IUPAC Name[bromo(difluoro)methyl]sulfonylbenzene
SMILESO=S(=O)(c1ccccc1)C(F)(F)Br
InChIInChI=1S/C7H5BrF2O2S/c8-7(9,10)13(11,12)6-4-2-1-3-5-6/h1-5H
InChIKeyVYNTWHUALGNGNU-UHFFFAOYSA-N
XLogP2.41
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.08
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Benzenesulfonyl fluoride
CID 67779
Methyl phenyl sulfone
CID 18369
4-Fluorobenzenesulfonyl chloride
CID 9588
Phenyl vinyl sulfone
CID 79664
Benzene, 1,1'-sulfonylbis(4-fluoro-
CID 67842
Bromomethyl phenyl sulfone
CID 275696
1-Fluoro-4-(methylsulphonyl)benzene
CID 67994
((Chloromethyl)sulphonyl)benzene
CID 81625
1-Fluoro-2-methanesulfonylbenzene
CID 2778243
[(Difluoromethyl)thio]benzene
CID 73752
Phenyl Trifluoromethyl Sulfone
CID 555605
1-Fluoro-4-trifluoromethanesulfonylbenzene
CID 3685201

Frequently Asked Questions

What is the IUPAC name of [bromo(difluoro)methyl]sulfonylbenzene?
The IUPAC name of [bromo(difluoro)methyl]sulfonylbenzene (CID 11119175) is [bromo(difluoro)methyl]sulfonylbenzene.
What is the SMILES notation for [bromo(difluoro)methyl]sulfonylbenzene?
The canonical SMILES for [bromo(difluoro)methyl]sulfonylbenzene is O=S(=O)(c1ccccc1)C(F)(F)Br.
What is the InChIKey of [bromo(difluoro)methyl]sulfonylbenzene?
The InChIKey is VYNTWHUALGNGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF2O2S/c8-7(9,10)13(11,12)6-4-2-1-3-5-6/h1-5H.
What are the key properties of [bromo(difluoro)methyl]sulfonylbenzene?
[bromo(difluoro)methyl]sulfonylbenzene has a molecular weight of 271.08 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [bromo(difluoro)methyl]sulfonylbenzene is sourced from PubChem (CID 11119175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).