(E)-1-ethylsulfinyl-3,3-difluoroprop-1-ene

C5H8F2OS — CID 123174675

IUPAC(E)-1-ethylsulfinyl-3,3-difluoroprop-1-ene
SMILESCCS(=O)/C=C/C(F)F
InChIInChI=1S/C5H8F2OS/c1-2-9(8)4-3-5(6)7/h3-5H,2H2,1H3/b4-3+
InChIKeyGNFWKOPSMAROGL-ONEGZZNKSA-N
MW154.18 g/mol
LogP1.53
Rot. Bonds3

About (E)-1-ethylsulfinyl-3,3-difluoroprop-1-ene

(E)-1-ethylsulfinyl-3,3-difluoroprop-1-ene (PubChem CID 123174675) has the molecular formula C5H8F2OS and a molecular weight of 154.18 g/mol. Its IUPAC name is (E)-1-ethylsulfinyl-3,3-difluoroprop-1-ene.

Molecular Properties

Compound Name(E)-1-ethylsulfinyl-3,3-difluoroprop-1-ene
PubChem CID123174675
Molecular FormulaC5H8F2OS
Molecular Weight154.18 g/mol
Exact Mass154.03
IUPAC Name(E)-1-ethylsulfinyl-3,3-difluoroprop-1-ene
SMILESCCS(=O)/C=C/C(F)F
InChIInChI=1S/C5H8F2OS/c1-2-9(8)4-3-5(6)7/h3-5H,2H2,1H3/b4-3+
InChIKeyGNFWKOPSMAROGL-ONEGZZNKSA-N
XLogP1.53
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.18
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-1-ethylsulfinyl-3,3-difluoroprop-1-ene?
The IUPAC name of (E)-1-ethylsulfinyl-3,3-difluoroprop-1-ene (CID 123174675) is (E)-1-ethylsulfinyl-3,3-difluoroprop-1-ene.
What is the SMILES notation for (E)-1-ethylsulfinyl-3,3-difluoroprop-1-ene?
The canonical SMILES for (E)-1-ethylsulfinyl-3,3-difluoroprop-1-ene is CCS(=O)/C=C/C(F)F.
What is the InChIKey of (E)-1-ethylsulfinyl-3,3-difluoroprop-1-ene?
The InChIKey is GNFWKOPSMAROGL-ONEGZZNKSA-N. The full InChI is InChI=1S/C5H8F2OS/c1-2-9(8)4-3-5(6)7/h3-5H,2H2,1H3/b4-3+.
What are the key properties of (E)-1-ethylsulfinyl-3,3-difluoroprop-1-ene?
(E)-1-ethylsulfinyl-3,3-difluoroprop-1-ene has a molecular weight of 154.18 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-ethylsulfinyl-3,3-difluoroprop-1-ene is sourced from PubChem (CID 123174675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).