2-bromo-4-ethylsulfonyl-1-fluorobenzene

C8H8BrFO2S — CID 58521975

IUPAC2-bromo-4-ethylsulfonyl-1-fluorobenzene
SMILESCCS(=O)(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C8H8BrFO2S/c1-2-13(11,12)6-3-4-8(10)7(9)5-6/h3-5H,2H2,1H3
InChIKeyWINYKRJPNRQKIW-UHFFFAOYSA-N
MW267.12 g/mol
LogP2.38
Rot. Bonds2

About 2-bromo-4-ethylsulfonyl-1-fluorobenzene

2-bromo-4-ethylsulfonyl-1-fluorobenzene (PubChem CID 58521975) has the molecular formula C8H8BrFO2S and a molecular weight of 267.12 g/mol. Its IUPAC name is 2-bromo-4-ethylsulfonyl-1-fluorobenzene.

Molecular Properties

Compound Name2-bromo-4-ethylsulfonyl-1-fluorobenzene
PubChem CID58521975
Molecular FormulaC8H8BrFO2S
Molecular Weight267.12 g/mol
Exact Mass265.94
IUPAC Name2-bromo-4-ethylsulfonyl-1-fluorobenzene
SMILESCCS(=O)(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C8H8BrFO2S/c1-2-13(11,12)6-3-4-8(10)7(9)5-6/h3-5H,2H2,1H3
InChIKeyWINYKRJPNRQKIW-UHFFFAOYSA-N
XLogP2.38
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.12
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-ethylsulfonyl-1-fluorobenzene?
The IUPAC name of 2-bromo-4-ethylsulfonyl-1-fluorobenzene (CID 58521975) is 2-bromo-4-ethylsulfonyl-1-fluorobenzene.
What is the SMILES notation for 2-bromo-4-ethylsulfonyl-1-fluorobenzene?
The canonical SMILES for 2-bromo-4-ethylsulfonyl-1-fluorobenzene is CCS(=O)(=O)c1ccc(F)c(Br)c1.
What is the InChIKey of 2-bromo-4-ethylsulfonyl-1-fluorobenzene?
The InChIKey is WINYKRJPNRQKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrFO2S/c1-2-13(11,12)6-3-4-8(10)7(9)5-6/h3-5H,2H2,1H3.
What are the key properties of 2-bromo-4-ethylsulfonyl-1-fluorobenzene?
2-bromo-4-ethylsulfonyl-1-fluorobenzene has a molecular weight of 267.12 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-ethylsulfonyl-1-fluorobenzene is sourced from PubChem (CID 58521975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).