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

C6H8F2O2S — CID 87624295

IUPAC1-fluoro-1-(1-fluoroprop-1-enylsulfonyl)prop-1-ene
SMILESCC=C(F)S(=O)(=O)C(F)=CC
InChIInChI=1S/C6H8F2O2S/c1-3-5(7)11(9,10)6(8)4-2/h3-4H,1-2H3
InChIKeyOKXGOCOEOCQEIA-UHFFFAOYSA-N
MW182.19 g/mol
LogP2.06
Rot. Bonds2

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

1-fluoro-1-(1-fluoroprop-1-enylsulfonyl)prop-1-ene (PubChem CID 87624295) has the molecular formula C6H8F2O2S and a molecular weight of 182.19 g/mol. Its IUPAC name is 1-fluoro-1-(1-fluoroprop-1-enylsulfonyl)prop-1-ene.

Molecular Properties

Compound Name1-fluoro-1-(1-fluoroprop-1-enylsulfonyl)prop-1-ene
PubChem CID87624295
Molecular FormulaC6H8F2O2S
Molecular Weight182.19 g/mol
Exact Mass182.02
IUPAC Name1-fluoro-1-(1-fluoroprop-1-enylsulfonyl)prop-1-ene
SMILESCC=C(F)S(=O)(=O)C(F)=CC
InChIInChI=1S/C6H8F2O2S/c1-3-5(7)11(9,10)6(8)4-2/h3-4H,1-2H3
InChIKeyOKXGOCOEOCQEIA-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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Related Compounds

1-(Trifluoromethylsulfonyl)buta-1,2-diene
CID 102376143
1-Fluoro-1-(1-fluorobut-1-enylsulfonyl)but-1-ene
CID 87624838
1-Fluoro-1-(1-fluoroprop-1-enylsulfinyl)prop-1-ene
CID 87624876
2-Fluoro-1-(2-fluoroprop-1-enylsulfonyl)prop-1-ene
CID 91000257
(E)-1-fluoro-1-methylsulfonylprop-1-ene
CID 169685423
(Z)-1-fluoro-1-methylsulfonylprop-1-ene
CID 169685424

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-1-(1-fluoroprop-1-enylsulfonyl)prop-1-ene?
The IUPAC name of 1-fluoro-1-(1-fluoroprop-1-enylsulfonyl)prop-1-ene (CID 87624295) is 1-fluoro-1-(1-fluoroprop-1-enylsulfonyl)prop-1-ene.
What is the SMILES notation for 1-fluoro-1-(1-fluoroprop-1-enylsulfonyl)prop-1-ene?
The canonical SMILES for 1-fluoro-1-(1-fluoroprop-1-enylsulfonyl)prop-1-ene is CC=C(F)S(=O)(=O)C(F)=CC.
What is the InChIKey of 1-fluoro-1-(1-fluoroprop-1-enylsulfonyl)prop-1-ene?
The InChIKey is OKXGOCOEOCQEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2O2S/c1-3-5(7)11(9,10)6(8)4-2/h3-4H,1-2H3.
What are the key properties of 1-fluoro-1-(1-fluoroprop-1-enylsulfonyl)prop-1-ene?
1-fluoro-1-(1-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 1-fluoro-1-(1-fluoroprop-1-enylsulfonyl)prop-1-ene is sourced from PubChem (CID 87624295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).