3-ethylsulfonyl-2-fluoroprop-1-ene

C5H9FO2S — CID 59154792

IUPAC3-ethylsulfonyl-2-fluoroprop-1-ene
SMILESC=C(F)CS(=O)(=O)CC
InChIInChI=1S/C5H9FO2S/c1-3-9(7,8)4-5(2)6/h2-4H2,1H3
InChIKeySFMXACSLVYWAJE-UHFFFAOYSA-N
MW152.19 g/mol
LogP0.90
Rot. Bonds3

About 3-ethylsulfonyl-2-fluoroprop-1-ene

3-ethylsulfonyl-2-fluoroprop-1-ene (PubChem CID 59154792) has the molecular formula C5H9FO2S and a molecular weight of 152.19 g/mol. Its IUPAC name is 3-ethylsulfonyl-2-fluoroprop-1-ene.

Molecular Properties

Compound Name3-ethylsulfonyl-2-fluoroprop-1-ene
PubChem CID59154792
Molecular FormulaC5H9FO2S
Molecular Weight152.19 g/mol
Exact Mass152.03
IUPAC Name3-ethylsulfonyl-2-fluoroprop-1-ene
SMILESC=C(F)CS(=O)(=O)CC
InChIInChI=1S/C5H9FO2S/c1-3-9(7,8)4-5(2)6/h2-4H2,1H3
InChIKeySFMXACSLVYWAJE-UHFFFAOYSA-N
XLogP0.90
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfonyl-2-fluoroprop-1-ene?
The IUPAC name of 3-ethylsulfonyl-2-fluoroprop-1-ene (CID 59154792) is 3-ethylsulfonyl-2-fluoroprop-1-ene.
What is the SMILES notation for 3-ethylsulfonyl-2-fluoroprop-1-ene?
The canonical SMILES for 3-ethylsulfonyl-2-fluoroprop-1-ene is C=C(F)CS(=O)(=O)CC.
What is the InChIKey of 3-ethylsulfonyl-2-fluoroprop-1-ene?
The InChIKey is SFMXACSLVYWAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FO2S/c1-3-9(7,8)4-5(2)6/h2-4H2,1H3.
What are the key properties of 3-ethylsulfonyl-2-fluoroprop-1-ene?
3-ethylsulfonyl-2-fluoroprop-1-ene has a molecular weight of 152.19 g/mol, XLogP of 0.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfonyl-2-fluoroprop-1-ene is sourced from PubChem (CID 59154792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).