2,2,3,3,5,5-hexafluoro-6-methyloxane

C6H6F6O — CID 20676466

IUPAC2,2,3,3,5,5-hexafluoro-6-methyloxane
SMILESCC1OC(F)(F)C(F)(F)CC1(F)F
InChIInChI=1S/C6H6F6O/c1-3-4(7,8)2-5(9,10)6(11,12)13-3/h3H,2H2,1H3
InChIKeyZPTORILESNIHSE-UHFFFAOYSA-N
MW208.10 g/mol
LogP2.66
Rot. Bonds

About 2,2,3,3,5,5-hexafluoro-6-methyloxane

2,2,3,3,5,5-hexafluoro-6-methyloxane (PubChem CID 20676466) has the molecular formula C6H6F6O and a molecular weight of 208.10 g/mol. Its IUPAC name is 2,2,3,3,5,5-hexafluoro-6-methyloxane.

Molecular Properties

Compound Name2,2,3,3,5,5-hexafluoro-6-methyloxane
PubChem CID20676466
Molecular FormulaC6H6F6O
Molecular Weight208.10 g/mol
Exact Mass208.03
IUPAC Name2,2,3,3,5,5-hexafluoro-6-methyloxane
SMILESCC1OC(F)(F)C(F)(F)CC1(F)F
InChIInChI=1S/C6H6F6O/c1-3-4(7,8)2-5(9,10)6(11,12)13-3/h3H,2H2,1H3
InChIKeyZPTORILESNIHSE-UHFFFAOYSA-N
XLogP2.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.10
LogP ≤ 52.66
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 2,2,3,3,5,5-hexafluoro-6-methyloxane?
The IUPAC name of 2,2,3,3,5,5-hexafluoro-6-methyloxane (CID 20676466) is 2,2,3,3,5,5-hexafluoro-6-methyloxane.
What is the SMILES notation for 2,2,3,3,5,5-hexafluoro-6-methyloxane?
The canonical SMILES for 2,2,3,3,5,5-hexafluoro-6-methyloxane is CC1OC(F)(F)C(F)(F)CC1(F)F.
What is the InChIKey of 2,2,3,3,5,5-hexafluoro-6-methyloxane?
The InChIKey is ZPTORILESNIHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F6O/c1-3-4(7,8)2-5(9,10)6(11,12)13-3/h3H,2H2,1H3.
What are the key properties of 2,2,3,3,5,5-hexafluoro-6-methyloxane?
2,2,3,3,5,5-hexafluoro-6-methyloxane has a molecular weight of 208.10 g/mol, XLogP of 2.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,5,5-hexafluoro-6-methyloxane is sourced from PubChem (CID 20676466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).