3-fluoro-3-fluorosulfonyloxyprop-1-ene

C3H4F2O3S — CID 57170714

IUPAC3-fluoro-3-fluorosulfonyloxyprop-1-ene
SMILESC=CC(F)OS(=O)(=O)F
InChIInChI=1S/C3H4F2O3S/c1-2-3(4)8-9(5,6)7/h2-3H,1H2
InChIKeyXRFARAIOIMIWPG-UHFFFAOYSA-N
MW158.12 g/mol
LogP0.70
Rot. Bonds3

About 3-fluoro-3-fluorosulfonyloxyprop-1-ene

3-fluoro-3-fluorosulfonyloxyprop-1-ene (PubChem CID 57170714) has the molecular formula C3H4F2O3S and a molecular weight of 158.12 g/mol. Its IUPAC name is 3-fluoro-3-fluorosulfonyloxyprop-1-ene.

Molecular Properties

Compound Name3-fluoro-3-fluorosulfonyloxyprop-1-ene
PubChem CID57170714
Molecular FormulaC3H4F2O3S
Molecular Weight158.12 g/mol
Exact Mass157.98
IUPAC Name3-fluoro-3-fluorosulfonyloxyprop-1-ene
SMILESC=CC(F)OS(=O)(=O)F
InChIInChI=1S/C3H4F2O3S/c1-2-3(4)8-9(5,6)7/h2-3H,1H2
InChIKeyXRFARAIOIMIWPG-UHFFFAOYSA-N
XLogP0.70
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.12
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-fluorosulfonyloxyprop-1-ene?
The IUPAC name of 3-fluoro-3-fluorosulfonyloxyprop-1-ene (CID 57170714) is 3-fluoro-3-fluorosulfonyloxyprop-1-ene.
What is the SMILES notation for 3-fluoro-3-fluorosulfonyloxyprop-1-ene?
The canonical SMILES for 3-fluoro-3-fluorosulfonyloxyprop-1-ene is C=CC(F)OS(=O)(=O)F.
What is the InChIKey of 3-fluoro-3-fluorosulfonyloxyprop-1-ene?
The InChIKey is XRFARAIOIMIWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4F2O3S/c1-2-3(4)8-9(5,6)7/h2-3H,1H2.
What are the key properties of 3-fluoro-3-fluorosulfonyloxyprop-1-ene?
3-fluoro-3-fluorosulfonyloxyprop-1-ene has a molecular weight of 158.12 g/mol, XLogP of 0.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-fluorosulfonyloxyprop-1-ene is sourced from PubChem (CID 57170714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).