1-ethylsulfonyl-2-fluorobenzene

C8H9FO2S — CID 56828011

IUPAC1-ethylsulfonyl-2-fluorobenzene
SMILESCCS(=O)(=O)c1ccccc1F
InChIInChI=1S/C8H9FO2S/c1-2-12(10,11)8-6-4-3-5-7(8)9/h3-6H,2H2,1H3
InChIKeySEKKLXBUQRMFFB-UHFFFAOYSA-N
MW188.22 g/mol
LogP1.62
Rot. Bonds2

About 1-ethylsulfonyl-2-fluorobenzene

1-ethylsulfonyl-2-fluorobenzene (PubChem CID 56828011) has the molecular formula C8H9FO2S and a molecular weight of 188.22 g/mol. Its IUPAC name is 1-ethylsulfonyl-2-fluorobenzene.

Molecular Properties

Compound Name1-ethylsulfonyl-2-fluorobenzene
PubChem CID56828011
Molecular FormulaC8H9FO2S
Molecular Weight188.22 g/mol
Exact Mass188.03
IUPAC Name1-ethylsulfonyl-2-fluorobenzene
SMILESCCS(=O)(=O)c1ccccc1F
InChIInChI=1S/C8H9FO2S/c1-2-12(10,11)8-6-4-3-5-7(8)9/h3-6H,2H2,1H3
InChIKeySEKKLXBUQRMFFB-UHFFFAOYSA-N
XLogP1.62
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-2-fluorobenzene?
The IUPAC name of 1-ethylsulfonyl-2-fluorobenzene (CID 56828011) is 1-ethylsulfonyl-2-fluorobenzene.
What is the SMILES notation for 1-ethylsulfonyl-2-fluorobenzene?
The canonical SMILES for 1-ethylsulfonyl-2-fluorobenzene is CCS(=O)(=O)c1ccccc1F.
What is the InChIKey of 1-ethylsulfonyl-2-fluorobenzene?
The InChIKey is SEKKLXBUQRMFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FO2S/c1-2-12(10,11)8-6-4-3-5-7(8)9/h3-6H,2H2,1H3.
What are the key properties of 1-ethylsulfonyl-2-fluorobenzene?
1-ethylsulfonyl-2-fluorobenzene has a molecular weight of 188.22 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-2-fluorobenzene is sourced from PubChem (CID 56828011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).