1,1,2,2-tetrafluoro-2-(2,3,3-trifluorooxiran-2-yl)ethanesulfonyl fluoride

C4F8O3S — CID 169224044

IUPAC1,1,2,2-tetrafluoro-2-(2,3,3-trifluorooxiran-2-yl)ethanesulfonyl fluoride
SMILESO=S(=O)(F)C(F)(F)C(F)(F)C1(F)OC1(F)F
InChIInChI=1S/C4F8O3S/c5-1(6,2(7)3(8,9)15-2)4(10,11)16(12,13)14
InChIKeyDDRLHAWBRLNQKL-UHFFFAOYSA-N
MW280.09 g/mol
LogP1.80
Rot. Bonds3

About 1,1,2,2-tetrafluoro-2-(2,3,3-trifluorooxiran-2-yl)ethanesulfonyl fluoride

1,1,2,2-tetrafluoro-2-(2,3,3-trifluorooxiran-2-yl)ethanesulfonyl fluoride (PubChem CID 169224044) has the molecular formula C4F8O3S and a molecular weight of 280.09 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoro-2-(2,3,3-trifluorooxiran-2-yl)ethanesulfonyl fluoride.

Molecular Properties

Compound Name1,1,2,2-tetrafluoro-2-(2,3,3-trifluorooxiran-2-yl)ethanesulfonyl fluoride
PubChem CID169224044
Molecular FormulaC4F8O3S
Molecular Weight280.09 g/mol
Exact Mass279.94
IUPAC Name1,1,2,2-tetrafluoro-2-(2,3,3-trifluorooxiran-2-yl)ethanesulfonyl fluoride
SMILESO=S(=O)(F)C(F)(F)C(F)(F)C1(F)OC1(F)F
InChIInChI=1S/C4F8O3S/c5-1(6,2(7)3(8,9)15-2)4(10,11)16(12,13)14
InChIKeyDDRLHAWBRLNQKL-UHFFFAOYSA-N
XLogP1.80
TPSA46.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.09
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetrafluoro-2-(2,3,3-trifluorooxiran-2-yl)ethanesulfonyl fluoride?
The IUPAC name of 1,1,2,2-tetrafluoro-2-(2,3,3-trifluorooxiran-2-yl)ethanesulfonyl fluoride (CID 169224044) is 1,1,2,2-tetrafluoro-2-(2,3,3-trifluorooxiran-2-yl)ethanesulfonyl fluoride.
What is the SMILES notation for 1,1,2,2-tetrafluoro-2-(2,3,3-trifluorooxiran-2-yl)ethanesulfonyl fluoride?
The canonical SMILES for 1,1,2,2-tetrafluoro-2-(2,3,3-trifluorooxiran-2-yl)ethanesulfonyl fluoride is O=S(=O)(F)C(F)(F)C(F)(F)C1(F)OC1(F)F.
What is the InChIKey of 1,1,2,2-tetrafluoro-2-(2,3,3-trifluorooxiran-2-yl)ethanesulfonyl fluoride?
The InChIKey is DDRLHAWBRLNQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4F8O3S/c5-1(6,2(7)3(8,9)15-2)4(10,11)16(12,13)14.
What are the key properties of 1,1,2,2-tetrafluoro-2-(2,3,3-trifluorooxiran-2-yl)ethanesulfonyl fluoride?
1,1,2,2-tetrafluoro-2-(2,3,3-trifluorooxiran-2-yl)ethanesulfonyl fluoride has a molecular weight of 280.09 g/mol, XLogP of 1.80, 3 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-(2,3,3-trifluorooxiran-2-yl)ethanesulfonyl fluoride is sourced from PubChem (CID 169224044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).