1,2,2,2-tetrafluoro-1-(1,2,2-trifluoroethenoxy)ethanesulfonic acid

C4HF7O4S — CID 87648111

IUPAC1,2,2,2-tetrafluoro-1-(1,2,2-trifluoroethenoxy)ethanesulfonic acid
SMILESO=S(=O)(O)C(F)(OC(F)=C(F)F)C(F)(F)F
InChIInChI=1S/C4HF7O4S/c5-1(6)2(7)15-4(11,3(8,9)10)16(12,13)14/h(H,12,13,14)
InChIKeyXOHJTCCBSKZJQH-UHFFFAOYSA-N
MW278.10 g/mol
LogP2.11
Rot. Bonds3

About 1,2,2,2-tetrafluoro-1-(1,2,2-trifluoroethenoxy)ethanesulfonic acid

1,2,2,2-tetrafluoro-1-(1,2,2-trifluoroethenoxy)ethanesulfonic acid (PubChem CID 87648111) has the molecular formula C4HF7O4S and a molecular weight of 278.10 g/mol. Its IUPAC name is 1,2,2,2-tetrafluoro-1-(1,2,2-trifluoroethenoxy)ethanesulfonic acid.

Molecular Properties

Compound Name1,2,2,2-tetrafluoro-1-(1,2,2-trifluoroethenoxy)ethanesulfonic acid
PubChem CID87648111
Molecular FormulaC4HF7O4S
Molecular Weight278.10 g/mol
Exact Mass277.95
IUPAC Name1,2,2,2-tetrafluoro-1-(1,2,2-trifluoroethenoxy)ethanesulfonic acid
SMILESO=S(=O)(O)C(F)(OC(F)=C(F)F)C(F)(F)F
InChIInChI=1S/C4HF7O4S/c5-1(6)2(7)15-4(11,3(8,9)10)16(12,13)14/h(H,12,13,14)
InChIKeyXOHJTCCBSKZJQH-UHFFFAOYSA-N
XLogP2.11
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.10
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,2,2-tetrafluoro-1-(1,2,2-trifluoroethenoxy)ethanesulfonic acid?
The IUPAC name of 1,2,2,2-tetrafluoro-1-(1,2,2-trifluoroethenoxy)ethanesulfonic acid (CID 87648111) is 1,2,2,2-tetrafluoro-1-(1,2,2-trifluoroethenoxy)ethanesulfonic acid.
What is the SMILES notation for 1,2,2,2-tetrafluoro-1-(1,2,2-trifluoroethenoxy)ethanesulfonic acid?
The canonical SMILES for 1,2,2,2-tetrafluoro-1-(1,2,2-trifluoroethenoxy)ethanesulfonic acid is O=S(=O)(O)C(F)(OC(F)=C(F)F)C(F)(F)F.
What is the InChIKey of 1,2,2,2-tetrafluoro-1-(1,2,2-trifluoroethenoxy)ethanesulfonic acid?
The InChIKey is XOHJTCCBSKZJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HF7O4S/c5-1(6)2(7)15-4(11,3(8,9)10)16(12,13)14/h(H,12,13,14).
What are the key properties of 1,2,2,2-tetrafluoro-1-(1,2,2-trifluoroethenoxy)ethanesulfonic acid?
1,2,2,2-tetrafluoro-1-(1,2,2-trifluoroethenoxy)ethanesulfonic acid has a molecular weight of 278.10 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,2-tetrafluoro-1-(1,2,2-trifluoroethenoxy)ethanesulfonic acid is sourced from PubChem (CID 87648111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).