3-fluoroprop-2-enylsulfonyl 3-fluoroprop-2-ene-1-sulfonate

C6H8F2O5S2 — CID 173272684

IUPAC3-fluoroprop-2-enylsulfonyl 3-fluoroprop-2-ene-1-sulfonate
SMILESO=S(=O)(CC=CF)OS(=O)(=O)CC=CF
InChIInChI=1S/C6H8F2O5S2/c7-3-1-5-14(9,10)13-15(11,12)6-2-4-8/h1-4H,5-6H2
InChIKeyGRAOQUUHUAEJCT-UHFFFAOYSA-N
MW262.25 g/mol
LogP0.63
Rot. Bonds6

About 3-fluoroprop-2-enylsulfonyl 3-fluoroprop-2-ene-1-sulfonate

3-fluoroprop-2-enylsulfonyl 3-fluoroprop-2-ene-1-sulfonate (PubChem CID 173272684) has the molecular formula C6H8F2O5S2 and a molecular weight of 262.25 g/mol. Its IUPAC name is 3-fluoroprop-2-enylsulfonyl 3-fluoroprop-2-ene-1-sulfonate.

Molecular Properties

Compound Name3-fluoroprop-2-enylsulfonyl 3-fluoroprop-2-ene-1-sulfonate
PubChem CID173272684
Molecular FormulaC6H8F2O5S2
Molecular Weight262.25 g/mol
Exact Mass261.98
IUPAC Name3-fluoroprop-2-enylsulfonyl 3-fluoroprop-2-ene-1-sulfonate
SMILESO=S(=O)(CC=CF)OS(=O)(=O)CC=CF
InChIInChI=1S/C6H8F2O5S2/c7-3-1-5-14(9,10)13-15(11,12)6-2-4-8/h1-4H,5-6H2
InChIKeyGRAOQUUHUAEJCT-UHFFFAOYSA-N
XLogP0.63
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.25
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoroprop-2-enylsulfonyl 3-fluoroprop-2-ene-1-sulfonate?
The IUPAC name of 3-fluoroprop-2-enylsulfonyl 3-fluoroprop-2-ene-1-sulfonate (CID 173272684) is 3-fluoroprop-2-enylsulfonyl 3-fluoroprop-2-ene-1-sulfonate.
What is the SMILES notation for 3-fluoroprop-2-enylsulfonyl 3-fluoroprop-2-ene-1-sulfonate?
The canonical SMILES for 3-fluoroprop-2-enylsulfonyl 3-fluoroprop-2-ene-1-sulfonate is O=S(=O)(CC=CF)OS(=O)(=O)CC=CF.
What is the InChIKey of 3-fluoroprop-2-enylsulfonyl 3-fluoroprop-2-ene-1-sulfonate?
The InChIKey is GRAOQUUHUAEJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2O5S2/c7-3-1-5-14(9,10)13-15(11,12)6-2-4-8/h1-4H,5-6H2.
What are the key properties of 3-fluoroprop-2-enylsulfonyl 3-fluoroprop-2-ene-1-sulfonate?
3-fluoroprop-2-enylsulfonyl 3-fluoroprop-2-ene-1-sulfonate has a molecular weight of 262.25 g/mol, XLogP of 0.63, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoroprop-2-enylsulfonyl 3-fluoroprop-2-ene-1-sulfonate is sourced from PubChem (CID 173272684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).