2,2,3,3,4,5,5,6,6-nonafluorooxane

C5HF9O — CID 73057419

IUPAC2,2,3,3,4,5,5,6,6-nonafluorooxane
SMILESFC1C(F)(F)C(F)(F)OC(F)(F)C1(F)F
InChIInChI=1S/C5HF9O/c6-1-2(7,8)4(11,12)15-5(13,14)3(1,9)10/h1H
InChIKeyZBUXMGZYFYSMPA-UHFFFAOYSA-N
MW248.04 g/mol
LogP2.81
Rot. Bonds

About 2,2,3,3,4,5,5,6,6-nonafluorooxane

2,2,3,3,4,5,5,6,6-nonafluorooxane (PubChem CID 73057419) has the molecular formula C5HF9O and a molecular weight of 248.04 g/mol. Its IUPAC name is 2,2,3,3,4,5,5,6,6-nonafluorooxane.

Molecular Properties

Compound Name2,2,3,3,4,5,5,6,6-nonafluorooxane
PubChem CID73057419
Molecular FormulaC5HF9O
Molecular Weight248.04 g/mol
Exact Mass247.99
IUPAC Name2,2,3,3,4,5,5,6,6-nonafluorooxane
SMILESFC1C(F)(F)C(F)(F)OC(F)(F)C1(F)F
InChIInChI=1S/C5HF9O/c6-1-2(7,8)4(11,12)15-5(13,14)3(1,9)10/h1H
InChIKeyZBUXMGZYFYSMPA-UHFFFAOYSA-N
XLogP2.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.04
LogP ≤ 52.81
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 2,2,3,3,4,5,5,6,6-nonafluorooxane?
The IUPAC name of 2,2,3,3,4,5,5,6,6-nonafluorooxane (CID 73057419) is 2,2,3,3,4,5,5,6,6-nonafluorooxane.
What is the SMILES notation for 2,2,3,3,4,5,5,6,6-nonafluorooxane?
The canonical SMILES for 2,2,3,3,4,5,5,6,6-nonafluorooxane is FC1C(F)(F)C(F)(F)OC(F)(F)C1(F)F.
What is the InChIKey of 2,2,3,3,4,5,5,6,6-nonafluorooxane?
The InChIKey is ZBUXMGZYFYSMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HF9O/c6-1-2(7,8)4(11,12)15-5(13,14)3(1,9)10/h1H.
What are the key properties of 2,2,3,3,4,5,5,6,6-nonafluorooxane?
2,2,3,3,4,5,5,6,6-nonafluorooxane has a molecular weight of 248.04 g/mol, XLogP of 2.81, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,5,5,6,6-nonafluorooxane is sourced from PubChem (CID 73057419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).