(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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Related Compounds

bis[(E)-3,3,3-trifluoroprop-1-enyl] carbonate
CID 87138013
1,1,2,2-tetrafluoro-1,2-bis(fluorosulfonyloxy)ethane
CID 12665878
2-fluoro-2-fluorosulfonyloxypropane
CID 88649659
N-(4,4,4-trifluorobut-2-enylsulfonyl)sulfamoyl fluoride
CID 174770877
[(E)-3,3-dimethylbut-1-enyl] hydrogen sulfate
CID 167420784
carbonic acid;1,1,1,4,4,4-hexafluorobut-2-ene
CID 160871889
lithium fluorosulfonyl hypofluorite
CID 22638452
1,1,1,6,6,6-hexafluorohexa-2,4-diene
CID 71367258
1-ethenoxy-1,1,2,2-tetrafluoroethane;sulfuryl difluoride
CID 87438689
2-[difluoro(fluorosulfonyloxy)methyl]-3,3-difluoro-3-fluorosulfonyloxyprop-1-ene
CID 10471472
4,4,4-trifluorobut-2-enoyl 4,4,4-trifluorobut-2-enoate
CID 87154543
[(E)-2-(trifluoromethylsulfonyloxy)ethenyl]-[4-[(E)-2-(trifluoromethylsulfonyloxy)ethenyl]iodoniophenyl]iodanium
CID 101039933

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).