(E)-3,3,3-trifluoro-1-fluorosulfonyloxyprop-1-ene

C3H2F4O3S — CID 91691162

IUPAC(E)-3,3,3-trifluoro-1-fluorosulfonyloxyprop-1-ene
SMILESO=S(=O)(F)O/C=C/C(F)(F)F
InChIInChI=1S/C3H2F4O3S/c4-3(5,6)1-2-10-11(7,8)9/h1-2H/b2-1+
InChIKeyRYYZNVMDLILOCK-OWOJBTEDSA-N
MW194.11 g/mol
LogP1.29
Rot. Bonds2

About (E)-3,3,3-trifluoro-1-fluorosulfonyloxyprop-1-ene

(E)-3,3,3-trifluoro-1-fluorosulfonyloxyprop-1-ene (PubChem CID 91691162) has the molecular formula C3H2F4O3S and a molecular weight of 194.11 g/mol. Its IUPAC name is (E)-3,3,3-trifluoro-1-fluorosulfonyloxyprop-1-ene.

Molecular Properties

Compound Name(E)-3,3,3-trifluoro-1-fluorosulfonyloxyprop-1-ene
PubChem CID91691162
Molecular FormulaC3H2F4O3S
Molecular Weight194.11 g/mol
Exact Mass193.97
IUPAC Name(E)-3,3,3-trifluoro-1-fluorosulfonyloxyprop-1-ene
SMILESO=S(=O)(F)O/C=C/C(F)(F)F
InChIInChI=1S/C3H2F4O3S/c4-3(5,6)1-2-10-11(7,8)9/h1-2H/b2-1+
InChIKeyRYYZNVMDLILOCK-OWOJBTEDSA-N
XLogP1.29
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.11
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3,3,3-trifluoro-1-fluorosulfonyloxyprop-1-ene?
The IUPAC name of (E)-3,3,3-trifluoro-1-fluorosulfonyloxyprop-1-ene (CID 91691162) is (E)-3,3,3-trifluoro-1-fluorosulfonyloxyprop-1-ene.
What is the SMILES notation for (E)-3,3,3-trifluoro-1-fluorosulfonyloxyprop-1-ene?
The canonical SMILES for (E)-3,3,3-trifluoro-1-fluorosulfonyloxyprop-1-ene is O=S(=O)(F)O/C=C/C(F)(F)F.
What is the InChIKey of (E)-3,3,3-trifluoro-1-fluorosulfonyloxyprop-1-ene?
The InChIKey is RYYZNVMDLILOCK-OWOJBTEDSA-N. The full InChI is InChI=1S/C3H2F4O3S/c4-3(5,6)1-2-10-11(7,8)9/h1-2H/b2-1+.
What are the key properties of (E)-3,3,3-trifluoro-1-fluorosulfonyloxyprop-1-ene?
(E)-3,3,3-trifluoro-1-fluorosulfonyloxyprop-1-ene has a molecular weight of 194.11 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3,3,3-trifluoro-1-fluorosulfonyloxyprop-1-ene is sourced from PubChem (CID 91691162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).