1-bromo-4-(2-ethylsulfonylethoxy)-2-fluorobenzene

C10H12BrFO3S — CID 65202505

IUPAC1-bromo-4-(2-ethylsulfonylethoxy)-2-fluorobenzene
SMILESCCS(=O)(=O)CCOc1ccc(Br)c(F)c1
InChIInChI=1S/C10H12BrFO3S/c1-2-16(13,14)6-5-15-8-3-4-9(11)10(12)7-8/h3-4,7H,2,5-6H2,1H3
InChIKeyWTSSDPSVCMCKDX-UHFFFAOYSA-N
MW311.17 g/mol
LogP2.40
Rot. Bonds5

About 1-bromo-4-(2-ethylsulfonylethoxy)-2-fluorobenzene

1-bromo-4-(2-ethylsulfonylethoxy)-2-fluorobenzene (PubChem CID 65202505) has the molecular formula C10H12BrFO3S and a molecular weight of 311.17 g/mol. Its IUPAC name is 1-bromo-4-(2-ethylsulfonylethoxy)-2-fluorobenzene.

Molecular Properties

Compound Name1-bromo-4-(2-ethylsulfonylethoxy)-2-fluorobenzene
PubChem CID65202505
Molecular FormulaC10H12BrFO3S
Molecular Weight311.17 g/mol
Exact Mass309.97
IUPAC Name1-bromo-4-(2-ethylsulfonylethoxy)-2-fluorobenzene
SMILESCCS(=O)(=O)CCOc1ccc(Br)c(F)c1
InChIInChI=1S/C10H12BrFO3S/c1-2-16(13,14)6-5-15-8-3-4-9(11)10(12)7-8/h3-4,7H,2,5-6H2,1H3
InChIKeyWTSSDPSVCMCKDX-UHFFFAOYSA-N
XLogP2.40
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.17
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(2-ethylsulfonylethoxy)-2-fluorobenzene?
The IUPAC name of 1-bromo-4-(2-ethylsulfonylethoxy)-2-fluorobenzene (CID 65202505) is 1-bromo-4-(2-ethylsulfonylethoxy)-2-fluorobenzene.
What is the SMILES notation for 1-bromo-4-(2-ethylsulfonylethoxy)-2-fluorobenzene?
The canonical SMILES for 1-bromo-4-(2-ethylsulfonylethoxy)-2-fluorobenzene is CCS(=O)(=O)CCOc1ccc(Br)c(F)c1.
What is the InChIKey of 1-bromo-4-(2-ethylsulfonylethoxy)-2-fluorobenzene?
The InChIKey is WTSSDPSVCMCKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFO3S/c1-2-16(13,14)6-5-15-8-3-4-9(11)10(12)7-8/h3-4,7H,2,5-6H2,1H3.
What are the key properties of 1-bromo-4-(2-ethylsulfonylethoxy)-2-fluorobenzene?
1-bromo-4-(2-ethylsulfonylethoxy)-2-fluorobenzene has a molecular weight of 311.17 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(2-ethylsulfonylethoxy)-2-fluorobenzene is sourced from PubChem (CID 65202505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).