(3S,4R)-2,2,3,4,5,5-hexafluorooxolane

C4H2F6O — CID 12663921

IUPAC(3S,4R)-2,2,3,4,5,5-hexafluorooxolane
SMILESF[C@@H]1[C@H](F)C(F)(F)OC1(F)F
InChIInChI=1S/C4H2F6O/c5-1-2(6)4(9,10)11-3(1,7)8/h1-2H/t1-,2+
InChIKeyLKZYEBCKWAOFPB-XIXRPRMCSA-N
MW180.05 g/mol
LogP1.88
Rot. Bonds

About (3S,4R)-2,2,3,4,5,5-hexafluorooxolane

(3S,4R)-2,2,3,4,5,5-hexafluorooxolane (PubChem CID 12663921) has the molecular formula C4H2F6O and a molecular weight of 180.05 g/mol. Its IUPAC name is (3S,4R)-2,2,3,4,5,5-hexafluorooxolane.

Molecular Properties

Compound Name(3S,4R)-2,2,3,4,5,5-hexafluorooxolane
PubChem CID12663921
Molecular FormulaC4H2F6O
Molecular Weight180.05 g/mol
Exact Mass180.00
IUPAC Name(3S,4R)-2,2,3,4,5,5-hexafluorooxolane
SMILESF[C@@H]1[C@H](F)C(F)(F)OC1(F)F
InChIInChI=1S/C4H2F6O/c5-1-2(6)4(9,10)11-3(1,7)8/h1-2H/t1-,2+
InChIKeyLKZYEBCKWAOFPB-XIXRPRMCSA-N
XLogP1.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.05
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-2,2,3,4,5,5-hexafluorooxolane?
The IUPAC name of (3S,4R)-2,2,3,4,5,5-hexafluorooxolane (CID 12663921) is (3S,4R)-2,2,3,4,5,5-hexafluorooxolane.
What is the SMILES notation for (3S,4R)-2,2,3,4,5,5-hexafluorooxolane?
The canonical SMILES for (3S,4R)-2,2,3,4,5,5-hexafluorooxolane is F[C@@H]1[C@H](F)C(F)(F)OC1(F)F.
What is the InChIKey of (3S,4R)-2,2,3,4,5,5-hexafluorooxolane?
The InChIKey is LKZYEBCKWAOFPB-XIXRPRMCSA-N. The full InChI is InChI=1S/C4H2F6O/c5-1-2(6)4(9,10)11-3(1,7)8/h1-2H/t1-,2+.
What are the key properties of (3S,4R)-2,2,3,4,5,5-hexafluorooxolane?
(3S,4R)-2,2,3,4,5,5-hexafluorooxolane has a molecular weight of 180.05 g/mol, XLogP of 1.88, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-2,2,3,4,5,5-hexafluorooxolane is sourced from PubChem (CID 12663921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).