[difluoro(1,2,2-trifluoroethenoxy)methoxy]-difluoromethanesulfonic acid

C4HF7O5S — CID 163324584

IUPAC[difluoro(1,2,2-trifluoroethenoxy)methoxy]-difluoromethanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)OC(F)(F)OC(F)=C(F)F
InChIInChI=1S/C4HF7O5S/c5-1(6)2(7)15-3(8,9)16-4(10,11)17(12,13)14/h(H,12,13,14)
InChIKeyVYHGPKSSHPNGTF-UHFFFAOYSA-N
MW294.10 g/mol
LogP2.04
Rot. Bonds5

About [difluoro(1,2,2-trifluoroethenoxy)methoxy]-difluoromethanesulfonic acid

[difluoro(1,2,2-trifluoroethenoxy)methoxy]-difluoromethanesulfonic acid (PubChem CID 163324584) has the molecular formula C4HF7O5S and a molecular weight of 294.10 g/mol. Its IUPAC name is [difluoro(1,2,2-trifluoroethenoxy)methoxy]-difluoromethanesulfonic acid.

Molecular Properties

Compound Name[difluoro(1,2,2-trifluoroethenoxy)methoxy]-difluoromethanesulfonic acid
PubChem CID163324584
Molecular FormulaC4HF7O5S
Molecular Weight294.10 g/mol
Exact Mass293.94
IUPAC Name[difluoro(1,2,2-trifluoroethenoxy)methoxy]-difluoromethanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)OC(F)(F)OC(F)=C(F)F
InChIInChI=1S/C4HF7O5S/c5-1(6)2(7)15-3(8,9)16-4(10,11)17(12,13)14/h(H,12,13,14)
InChIKeyVYHGPKSSHPNGTF-UHFFFAOYSA-N
XLogP2.04
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.10
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

1,1,2,2-Tetrafluoro-2-[1,2,2,2-tetrafluoro-1-(1,2,2-trifluoroethenoxy)ethoxy]ethanesulfonic acid
CID 59652974
2,2-Difluoro-1-(1,2,2-trifluoroethenoxy)ethenesulfonic acid
CID 87788981
Difluoro-[1,2,2,2-tetrafluoro-1-(1,2,2-trifluoroethenoxy)ethoxy]methanesulfonic acid
CID 163324582
Difluoro(1,2,2-trifluoroethenoxy)methanesulfonic acid
CID 163324908

Frequently Asked Questions

What is the IUPAC name of [difluoro(1,2,2-trifluoroethenoxy)methoxy]-difluoromethanesulfonic acid?
The IUPAC name of [difluoro(1,2,2-trifluoroethenoxy)methoxy]-difluoromethanesulfonic acid (CID 163324584) is [difluoro(1,2,2-trifluoroethenoxy)methoxy]-difluoromethanesulfonic acid.
What is the SMILES notation for [difluoro(1,2,2-trifluoroethenoxy)methoxy]-difluoromethanesulfonic acid?
The canonical SMILES for [difluoro(1,2,2-trifluoroethenoxy)methoxy]-difluoromethanesulfonic acid is O=S(=O)(O)C(F)(F)OC(F)(F)OC(F)=C(F)F.
What is the InChIKey of [difluoro(1,2,2-trifluoroethenoxy)methoxy]-difluoromethanesulfonic acid?
The InChIKey is VYHGPKSSHPNGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HF7O5S/c5-1(6)2(7)15-3(8,9)16-4(10,11)17(12,13)14/h(H,12,13,14).
What are the key properties of [difluoro(1,2,2-trifluoroethenoxy)methoxy]-difluoromethanesulfonic acid?
[difluoro(1,2,2-trifluoroethenoxy)methoxy]-difluoromethanesulfonic acid has a molecular weight of 294.10 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [difluoro(1,2,2-trifluoroethenoxy)methoxy]-difluoromethanesulfonic acid is sourced from PubChem (CID 163324584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).