1-ethylsulfinyl-3,3-difluoroprop-1-ene

C5H8F2OS — CID 90709790

IUPAC1-ethylsulfinyl-3,3-difluoroprop-1-ene
SMILESCCS(=O)C=CC(F)F
InChIInChI=1S/C5H8F2OS/c1-2-9(8)4-3-5(6)7/h3-5H,2H2,1H3
InChIKeyGNFWKOPSMAROGL-UHFFFAOYSA-N
MW154.18 g/mol
LogP1.53
Rot. Bonds3

About 1-ethylsulfinyl-3,3-difluoroprop-1-ene

1-ethylsulfinyl-3,3-difluoroprop-1-ene (PubChem CID 90709790) has the molecular formula C5H8F2OS and a molecular weight of 154.18 g/mol. Its IUPAC name is 1-ethylsulfinyl-3,3-difluoroprop-1-ene.

Molecular Properties

Compound Name1-ethylsulfinyl-3,3-difluoroprop-1-ene
PubChem CID90709790
Molecular FormulaC5H8F2OS
Molecular Weight154.18 g/mol
Exact Mass154.03
IUPAC Name1-ethylsulfinyl-3,3-difluoroprop-1-ene
SMILESCCS(=O)C=CC(F)F
InChIInChI=1S/C5H8F2OS/c1-2-9(8)4-3-5(6)7/h3-5H,2H2,1H3
InChIKeyGNFWKOPSMAROGL-UHFFFAOYSA-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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Related Compounds

3-[Chloro(difluoro)methyl]sulfinylprop-1-ene
CID 13542542
Allyl methyl sulfoxide
CID 10887844
Difluoroallicin
CID 170984101
3-Ethylsulfinyl-1,1-difluoroprop-1-ene
CID 59155032
1-(Trifluoromethylsulfonyl)but-2-ene
CID 85984478
(E)-1-(trifluoromethylsulfonyl)but-2-ene
CID 88293949
1-Ethylsulfinyl-2-fluoroprop-1-ene
CID 91306174
4-Ethylsulfinyl-1,1,2-trifluorobut-2-ene
CID 91448920
(E)-1-ethylsulfinyl-3,3-difluoroprop-1-ene
CID 123174675
(Z)-4-ethylsulfinyl-1,1,2-trifluorobut-2-ene
CID 123302333
1,1-Difluoro-1-prop-2-enylsulfonylpropane
CID 123474562
(Z)-1-ethylsulfinyl-2-fluoroprop-1-ene
CID 123758131

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfinyl-3,3-difluoroprop-1-ene?
The IUPAC name of 1-ethylsulfinyl-3,3-difluoroprop-1-ene (CID 90709790) is 1-ethylsulfinyl-3,3-difluoroprop-1-ene.
What is the SMILES notation for 1-ethylsulfinyl-3,3-difluoroprop-1-ene?
The canonical SMILES for 1-ethylsulfinyl-3,3-difluoroprop-1-ene is CCS(=O)C=CC(F)F.
What is the InChIKey of 1-ethylsulfinyl-3,3-difluoroprop-1-ene?
The InChIKey is GNFWKOPSMAROGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2OS/c1-2-9(8)4-3-5(6)7/h3-5H,2H2,1H3.
What are the key properties of 1-ethylsulfinyl-3,3-difluoroprop-1-ene?
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 1-ethylsulfinyl-3,3-difluoroprop-1-ene is sourced from PubChem (CID 90709790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).