(4R,6S)-2,2,3,3,4,5,5,6-octafluorooxane

C5H2F8O — CID 73057716

IUPAC(4R,6S)-2,2,3,3,4,5,5,6-octafluorooxane
SMILESF[C@@H]1OC(F)(F)C(F)(F)[C@H](F)C1(F)F
InChIInChI=1S/C5H2F8O/c6-1-3(8,9)2(7)14-5(12,13)4(1,10)11/h1-2H/t1-,2-/m1/s1
InChIKeyUJCTUTGXQPVPJI-JCYAYHJZSA-N
MW230.05 g/mol
LogP2.51
Rot. Bonds

About (4R,6S)-2,2,3,3,4,5,5,6-octafluorooxane

(4R,6S)-2,2,3,3,4,5,5,6-octafluorooxane (PubChem CID 73057716) has the molecular formula C5H2F8O and a molecular weight of 230.05 g/mol. Its IUPAC name is (4R,6S)-2,2,3,3,4,5,5,6-octafluorooxane.

Molecular Properties

Compound Name(4R,6S)-2,2,3,3,4,5,5,6-octafluorooxane
PubChem CID73057716
Molecular FormulaC5H2F8O
Molecular Weight230.05 g/mol
Exact Mass230.00
IUPAC Name(4R,6S)-2,2,3,3,4,5,5,6-octafluorooxane
SMILESF[C@@H]1OC(F)(F)C(F)(F)[C@H](F)C1(F)F
InChIInChI=1S/C5H2F8O/c6-1-3(8,9)2(7)14-5(12,13)4(1,10)11/h1-2H/t1-,2-/m1/s1
InChIKeyUJCTUTGXQPVPJI-JCYAYHJZSA-N
XLogP2.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.05
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R,6S)-2,2,3,3,4,5,5,6-octafluorooxane?
The IUPAC name of (4R,6S)-2,2,3,3,4,5,5,6-octafluorooxane (CID 73057716) is (4R,6S)-2,2,3,3,4,5,5,6-octafluorooxane.
What is the SMILES notation for (4R,6S)-2,2,3,3,4,5,5,6-octafluorooxane?
The canonical SMILES for (4R,6S)-2,2,3,3,4,5,5,6-octafluorooxane is F[C@@H]1OC(F)(F)C(F)(F)[C@H](F)C1(F)F.
What is the InChIKey of (4R,6S)-2,2,3,3,4,5,5,6-octafluorooxane?
The InChIKey is UJCTUTGXQPVPJI-JCYAYHJZSA-N. The full InChI is InChI=1S/C5H2F8O/c6-1-3(8,9)2(7)14-5(12,13)4(1,10)11/h1-2H/t1-,2-/m1/s1.
What are the key properties of (4R,6S)-2,2,3,3,4,5,5,6-octafluorooxane?
(4R,6S)-2,2,3,3,4,5,5,6-octafluorooxane has a molecular weight of 230.05 g/mol, XLogP of 2.51, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S)-2,2,3,3,4,5,5,6-octafluorooxane is sourced from PubChem (CID 73057716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).