2-fluoro-1-(2-fluoroprop-1-enylsulfonyl)prop-1-ene

C6H8F2O2S — CID 91000257

IUPAC2-fluoro-1-(2-fluoroprop-1-enylsulfonyl)prop-1-ene
SMILESCC(F)=CS(=O)(=O)C=C(C)F
InChIInChI=1S/C6H8F2O2S/c1-5(7)3-11(9,10)4-6(2)8/h3-4H,1-2H3
InChIKeyACEOFDRHSIXUKD-UHFFFAOYSA-N
MW182.19 g/mol
LogP2.06
Rot. Bonds2

About 2-fluoro-1-(2-fluoroprop-1-enylsulfonyl)prop-1-ene

2-fluoro-1-(2-fluoroprop-1-enylsulfonyl)prop-1-ene (PubChem CID 91000257) has the molecular formula C6H8F2O2S and a molecular weight of 182.19 g/mol. Its IUPAC name is 2-fluoro-1-(2-fluoroprop-1-enylsulfonyl)prop-1-ene.

Molecular Properties

Compound Name2-fluoro-1-(2-fluoroprop-1-enylsulfonyl)prop-1-ene
PubChem CID91000257
Molecular FormulaC6H8F2O2S
Molecular Weight182.19 g/mol
Exact Mass182.02
IUPAC Name2-fluoro-1-(2-fluoroprop-1-enylsulfonyl)prop-1-ene
SMILESCC(F)=CS(=O)(=O)C=C(C)F
InChIInChI=1S/C6H8F2O2S/c1-5(7)3-11(9,10)4-6(2)8/h3-4H,1-2H3
InChIKeyACEOFDRHSIXUKD-UHFFFAOYSA-N
XLogP2.06
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-(2-fluoroprop-1-enylsulfonyl)prop-1-ene?
The IUPAC name of 2-fluoro-1-(2-fluoroprop-1-enylsulfonyl)prop-1-ene (CID 91000257) is 2-fluoro-1-(2-fluoroprop-1-enylsulfonyl)prop-1-ene.
What is the SMILES notation for 2-fluoro-1-(2-fluoroprop-1-enylsulfonyl)prop-1-ene?
The canonical SMILES for 2-fluoro-1-(2-fluoroprop-1-enylsulfonyl)prop-1-ene is CC(F)=CS(=O)(=O)C=C(C)F.
What is the InChIKey of 2-fluoro-1-(2-fluoroprop-1-enylsulfonyl)prop-1-ene?
The InChIKey is ACEOFDRHSIXUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2O2S/c1-5(7)3-11(9,10)4-6(2)8/h3-4H,1-2H3.
What are the key properties of 2-fluoro-1-(2-fluoroprop-1-enylsulfonyl)prop-1-ene?
2-fluoro-1-(2-fluoroprop-1-enylsulfonyl)prop-1-ene has a molecular weight of 182.19 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-(2-fluoroprop-1-enylsulfonyl)prop-1-ene is sourced from PubChem (CID 91000257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).