1-ethylsulfonyl-2-fluoroethane

C4H9FO2S — CID 54066356

IUPAC1-ethylsulfonyl-2-fluoroethane
SMILESCCS(=O)(=O)CCF
InChIInChI=1S/C4H9FO2S/c1-2-8(6,7)4-3-5/h2-4H2,1H3
InChIKeyQAUWACCXGQNPAH-UHFFFAOYSA-N
MW140.18 g/mol
LogP0.39
Rot. Bonds3

About 1-ethylsulfonyl-2-fluoroethane

1-ethylsulfonyl-2-fluoroethane (PubChem CID 54066356) has the molecular formula C4H9FO2S and a molecular weight of 140.18 g/mol. Its IUPAC name is 1-ethylsulfonyl-2-fluoroethane.

Molecular Properties

Compound Name1-ethylsulfonyl-2-fluoroethane
PubChem CID54066356
Molecular FormulaC4H9FO2S
Molecular Weight140.18 g/mol
Exact Mass140.03
IUPAC Name1-ethylsulfonyl-2-fluoroethane
SMILESCCS(=O)(=O)CCF
InChIInChI=1S/C4H9FO2S/c1-2-8(6,7)4-3-5/h2-4H2,1H3
InChIKeyQAUWACCXGQNPAH-UHFFFAOYSA-N
XLogP0.39
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Propyl sulfone
CID 11709
Isopropyl sulfone
CID 96232
Ethyl sulfone
CID 69004
Butyl ethyl sulfone
CID 520509
Ethyl Isopropyl Sulfone
CID 21719919
1,2-Bis(ethylsulfonyl)ethane
CID 118582
2-(Ethylsulphonyl)-2-methylpropane
CID 141865
1,1'-Sulfonylbis(2-(methylsulfinyl)ethane)
CID 126251
Ethane, 1-(ethylsulfonyl)-2-(methylthio)-
CID 184429
Diethyl(methyl)sulfanium;trifluoromethanesulfonate
CID 87357053
[Diethyl(methyl)-lambda4-sulfanyl] trifluoromethanesulfonate
CID 89251534
Ethyl n-propyl sulfone
CID 520507

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-2-fluoroethane?
The IUPAC name of 1-ethylsulfonyl-2-fluoroethane (CID 54066356) is 1-ethylsulfonyl-2-fluoroethane.
What is the SMILES notation for 1-ethylsulfonyl-2-fluoroethane?
The canonical SMILES for 1-ethylsulfonyl-2-fluoroethane is CCS(=O)(=O)CCF.
What is the InChIKey of 1-ethylsulfonyl-2-fluoroethane?
The InChIKey is QAUWACCXGQNPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9FO2S/c1-2-8(6,7)4-3-5/h2-4H2,1H3.
What are the key properties of 1-ethylsulfonyl-2-fluoroethane?
1-ethylsulfonyl-2-fluoroethane has a molecular weight of 140.18 g/mol, XLogP of 0.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-2-fluoroethane is sourced from PubChem (CID 54066356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).