1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethanesulfonyl chloride

C4ClF7O3S — CID 11594551

IUPAC1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethanesulfonyl chloride
SMILESO=S(=O)(Cl)C(F)(F)C(F)(F)OC(F)=C(F)F
InChIInChI=1S/C4ClF7O3S/c5-16(13,14)4(11,12)3(9,10)15-2(8)1(6)7
InChIKeyQIZOWHJXRPIDGD-UHFFFAOYSA-N
MW296.55 g/mol
LogP2.79
Rot. Bonds4

About 1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethanesulfonyl chloride

1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethanesulfonyl chloride (PubChem CID 11594551) has the molecular formula C4ClF7O3S and a molecular weight of 296.55 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethanesulfonyl chloride.

Molecular Properties

Compound Name1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethanesulfonyl chloride
PubChem CID11594551
Molecular FormulaC4ClF7O3S
Molecular Weight296.55 g/mol
Exact Mass295.91
IUPAC Name1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethanesulfonyl chloride
SMILESO=S(=O)(Cl)C(F)(F)C(F)(F)OC(F)=C(F)F
InChIInChI=1S/C4ClF7O3S/c5-16(13,14)4(11,12)3(9,10)15-2(8)1(6)7
InChIKeyQIZOWHJXRPIDGD-UHFFFAOYSA-N
XLogP2.79
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.55
LogP ≤ 52.79
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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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethanesulfonyl chloride?
The IUPAC name of 1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethanesulfonyl chloride (CID 11594551) is 1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethanesulfonyl chloride.
What is the SMILES notation for 1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethanesulfonyl chloride?
The canonical SMILES for 1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethanesulfonyl chloride is O=S(=O)(Cl)C(F)(F)C(F)(F)OC(F)=C(F)F.
What is the InChIKey of 1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethanesulfonyl chloride?
The InChIKey is QIZOWHJXRPIDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4ClF7O3S/c5-16(13,14)4(11,12)3(9,10)15-2(8)1(6)7.
What are the key properties of 1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethanesulfonyl chloride?
1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethanesulfonyl chloride has a molecular weight of 296.55 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethanesulfonyl chloride is sourced from PubChem (CID 11594551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).