3-ethylsulfinyl-2-fluoroprop-1-ene

C5H9FOS — CID 59155079

IUPAC3-ethylsulfinyl-2-fluoroprop-1-ene
SMILESC=C(F)CS(=O)CC
InChIInChI=1S/C5H9FOS/c1-3-8(7)4-5(2)6/h2-4H2,1H3
InChIKeyJAXXXEBKILRXRD-UHFFFAOYSA-N
MW136.19 g/mol
LogP1.24
Rot. Bonds3

About 3-ethylsulfinyl-2-fluoroprop-1-ene

3-ethylsulfinyl-2-fluoroprop-1-ene (PubChem CID 59155079) has the molecular formula C5H9FOS and a molecular weight of 136.19 g/mol. Its IUPAC name is 3-ethylsulfinyl-2-fluoroprop-1-ene.

Molecular Properties

Compound Name3-ethylsulfinyl-2-fluoroprop-1-ene
PubChem CID59155079
Molecular FormulaC5H9FOS
Molecular Weight136.19 g/mol
Exact Mass136.04
IUPAC Name3-ethylsulfinyl-2-fluoroprop-1-ene
SMILESC=C(F)CS(=O)CC
InChIInChI=1S/C5H9FOS/c1-3-8(7)4-5(2)6/h2-4H2,1H3
InChIKeyJAXXXEBKILRXRD-UHFFFAOYSA-N
XLogP1.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfinyl-2-fluoroprop-1-ene?
The IUPAC name of 3-ethylsulfinyl-2-fluoroprop-1-ene (CID 59155079) is 3-ethylsulfinyl-2-fluoroprop-1-ene.
What is the SMILES notation for 3-ethylsulfinyl-2-fluoroprop-1-ene?
The canonical SMILES for 3-ethylsulfinyl-2-fluoroprop-1-ene is C=C(F)CS(=O)CC.
What is the InChIKey of 3-ethylsulfinyl-2-fluoroprop-1-ene?
The InChIKey is JAXXXEBKILRXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FOS/c1-3-8(7)4-5(2)6/h2-4H2,1H3.
What are the key properties of 3-ethylsulfinyl-2-fluoroprop-1-ene?
3-ethylsulfinyl-2-fluoroprop-1-ene has a molecular weight of 136.19 g/mol, XLogP of 1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfinyl-2-fluoroprop-1-ene is sourced from PubChem (CID 59155079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).