1-ethenoxy-1,1,2,2-tetrafluoroethane;sulfuryl difluoride

C4H4F6O3S — CID 87438689

IUPAC1-ethenoxy-1,1,2,2-tetrafluoroethane;sulfuryl difluoride
SMILESC=COC(F)(F)C(F)F.O=S(=O)(F)F
InChIInChI=1S/C4H4F4O.F2O2S/c1-2-9-4(7,8)3(5)6;1-5(2,3)4/h2-3H,1H2;
InChIKeyIGALUJILDUPTBU-UHFFFAOYSA-N
MW246.13 g/mol
LogP2.17
Rot. Bonds3

About 1-ethenoxy-1,1,2,2-tetrafluoroethane;sulfuryl difluoride

1-ethenoxy-1,1,2,2-tetrafluoroethane;sulfuryl difluoride (PubChem CID 87438689) has the molecular formula C4H4F6O3S and a molecular weight of 246.13 g/mol. Its IUPAC name is 1-ethenoxy-1,1,2,2-tetrafluoroethane;sulfuryl difluoride.

Molecular Properties

Compound Name1-ethenoxy-1,1,2,2-tetrafluoroethane;sulfuryl difluoride
PubChem CID87438689
Molecular FormulaC4H4F6O3S
Molecular Weight246.13 g/mol
Exact Mass245.98
IUPAC Name1-ethenoxy-1,1,2,2-tetrafluoroethane;sulfuryl difluoride
SMILESC=COC(F)(F)C(F)F.O=S(=O)(F)F
InChIInChI=1S/C4H4F4O.F2O2S/c1-2-9-4(7,8)3(5)6;1-5(2,3)4/h2-3H,1H2;
InChIKeyIGALUJILDUPTBU-UHFFFAOYSA-N
XLogP2.17
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.13
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

10-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,10,10-icosafluorodecane
CID 19765940
1,1,2,2-tetrafluoroethylsulfonyl 1,1,2,2-tetrafluoroethanesulfonate
CID 24775313
carbonic acid;trifluoromethoxyethene
CID 175150293
2-chloro-1,1,1,2-tetrafluoroethane;ethenoxyethene
CID 174518312
4-(1,1,2,2-tetrafluoroethylsulfonyloxy)butyl 1,1,2,2-tetrafluoroethanesulfonate
CID 87128388
lithium 1,1,2,2-tetrafluoroethanesulfonate
CID 87303573
2-(1-ethenoxy-1,1,2,3,3,3-hexafluoropropan-2-yl)oxy-1,1,2,2-tetrafluoroethanesulfonic acid
CID 165360160
2-chloro-1-(2-ethenoxyethoxy)-1,1,2-trifluoroethane
CID 12010754
(E)-3,3,3-trifluoro-1-fluorosulfonyloxyprop-1-ene
CID 91691162
2-chloro-1,1,2-trifluoroethanesulfonic acid
CID 18504267
ethenoxyethene;fluoromethane;sulfurofluoridic acid
CID 20552533
1,2,2,3,3,4,4-heptafluorobutane-1-sulfonyl fluoride
CID 58741044

Frequently Asked Questions

What is the IUPAC name of 1-ethenoxy-1,1,2,2-tetrafluoroethane;sulfuryl difluoride?
The IUPAC name of 1-ethenoxy-1,1,2,2-tetrafluoroethane;sulfuryl difluoride (CID 87438689) is 1-ethenoxy-1,1,2,2-tetrafluoroethane;sulfuryl difluoride.
What is the SMILES notation for 1-ethenoxy-1,1,2,2-tetrafluoroethane;sulfuryl difluoride?
The canonical SMILES for 1-ethenoxy-1,1,2,2-tetrafluoroethane;sulfuryl difluoride is C=COC(F)(F)C(F)F.O=S(=O)(F)F.
What is the InChIKey of 1-ethenoxy-1,1,2,2-tetrafluoroethane;sulfuryl difluoride?
The InChIKey is IGALUJILDUPTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F4O.F2O2S/c1-2-9-4(7,8)3(5)6;1-5(2,3)4/h2-3H,1H2;.
What are the key properties of 1-ethenoxy-1,1,2,2-tetrafluoroethane;sulfuryl difluoride?
1-ethenoxy-1,1,2,2-tetrafluoroethane;sulfuryl difluoride has a molecular weight of 246.13 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-1,1,2,2-tetrafluoroethane;sulfuryl difluoride is sourced from PubChem (CID 87438689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).