1-ethylsulfinyl-2-fluoroprop-1-ene

C5H9FOS — CID 91306174

IUPAC1-ethylsulfinyl-2-fluoroprop-1-ene
SMILESCCS(=O)C=C(C)F
InChIInChI=1S/C5H9FOS/c1-3-8(7)4-5(2)6/h4H,3H2,1-2H3
InChIKeyDXFQFWZBZHCURP-UHFFFAOYSA-N
MW136.19 g/mol
LogP1.59
Rot. Bonds2

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

1-ethylsulfinyl-2-fluoroprop-1-ene (PubChem CID 91306174) has the molecular formula C5H9FOS and a molecular weight of 136.19 g/mol. Its IUPAC name is 1-ethylsulfinyl-2-fluoroprop-1-ene.

Molecular Properties

Compound Name1-ethylsulfinyl-2-fluoroprop-1-ene
PubChem CID91306174
Molecular FormulaC5H9FOS
Molecular Weight136.19 g/mol
Exact Mass136.04
IUPAC Name1-ethylsulfinyl-2-fluoroprop-1-ene
SMILESCCS(=O)C=C(C)F
InChIInChI=1S/C5H9FOS/c1-3-8(7)4-5(2)6/h4H,3H2,1-2H3
InChIKeyDXFQFWZBZHCURP-UHFFFAOYSA-N
XLogP1.59
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfinyl-2-fluoroprop-1-ene?
The IUPAC name of 1-ethylsulfinyl-2-fluoroprop-1-ene (CID 91306174) is 1-ethylsulfinyl-2-fluoroprop-1-ene.
What is the SMILES notation for 1-ethylsulfinyl-2-fluoroprop-1-ene?
The canonical SMILES for 1-ethylsulfinyl-2-fluoroprop-1-ene is CCS(=O)C=C(C)F.
What is the InChIKey of 1-ethylsulfinyl-2-fluoroprop-1-ene?
The InChIKey is DXFQFWZBZHCURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FOS/c1-3-8(7)4-5(2)6/h4H,3H2,1-2H3.
What are the key properties of 1-ethylsulfinyl-2-fluoroprop-1-ene?
1-ethylsulfinyl-2-fluoroprop-1-ene has a molecular weight of 136.19 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfinyl-2-fluoroprop-1-ene is sourced from PubChem (CID 91306174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).