2-(2-bromophenyl)sulfonyl-2-fluoroethanol

C8H8BrFO3S — CID 115051978

IUPAC2-(2-bromophenyl)sulfonyl-2-fluoroethanol
SMILESO=S(=O)(c1ccccc1Br)C(F)CO
InChIInChI=1S/C8H8BrFO3S/c9-6-3-1-2-4-7(6)14(12,13)8(10)5-11/h1-4,8,11H,5H2
InChIKeyVLSDRRNKUQMOGU-UHFFFAOYSA-N
MW283.12 g/mol
LogP1.51
Rot. Bonds3

About 2-(2-bromophenyl)sulfonyl-2-fluoroethanol

2-(2-bromophenyl)sulfonyl-2-fluoroethanol (PubChem CID 115051978) has the molecular formula C8H8BrFO3S and a molecular weight of 283.12 g/mol. Its IUPAC name is 2-(2-bromophenyl)sulfonyl-2-fluoroethanol.

Molecular Properties

Compound Name2-(2-bromophenyl)sulfonyl-2-fluoroethanol
PubChem CID115051978
Molecular FormulaC8H8BrFO3S
Molecular Weight283.12 g/mol
Exact Mass281.94
IUPAC Name2-(2-bromophenyl)sulfonyl-2-fluoroethanol
SMILESO=S(=O)(c1ccccc1Br)C(F)CO
InChIInChI=1S/C8H8BrFO3S/c9-6-3-1-2-4-7(6)14(12,13)8(10)5-11/h1-4,8,11H,5H2
InChIKeyVLSDRRNKUQMOGU-UHFFFAOYSA-N
XLogP1.51
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)sulfonyl-2-fluoroethanol?
The IUPAC name of 2-(2-bromophenyl)sulfonyl-2-fluoroethanol (CID 115051978) is 2-(2-bromophenyl)sulfonyl-2-fluoroethanol.
What is the SMILES notation for 2-(2-bromophenyl)sulfonyl-2-fluoroethanol?
The canonical SMILES for 2-(2-bromophenyl)sulfonyl-2-fluoroethanol is O=S(=O)(c1ccccc1Br)C(F)CO.
What is the InChIKey of 2-(2-bromophenyl)sulfonyl-2-fluoroethanol?
The InChIKey is VLSDRRNKUQMOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrFO3S/c9-6-3-1-2-4-7(6)14(12,13)8(10)5-11/h1-4,8,11H,5H2.
What are the key properties of 2-(2-bromophenyl)sulfonyl-2-fluoroethanol?
2-(2-bromophenyl)sulfonyl-2-fluoroethanol has a molecular weight of 283.12 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)sulfonyl-2-fluoroethanol is sourced from PubChem (CID 115051978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).