2,2,3,3,5,5,6,6-octafluoro-4-methyloxane

C6H4F8O — CID 174178727

IUPAC2,2,3,3,5,5,6,6-octafluoro-4-methyloxane
SMILESCC1C(F)(F)C(F)(F)OC(F)(F)C1(F)F
InChIInChI=1S/C6H4F8O/c1-2-3(7,8)5(11,12)15-6(13,14)4(2,9)10/h2H,1H3
InChIKeyUXGMWQYDSRXFCE-UHFFFAOYSA-N
MW244.08 g/mol
LogP3.11
Rot. Bonds

About 2,2,3,3,5,5,6,6-octafluoro-4-methyloxane

2,2,3,3,5,5,6,6-octafluoro-4-methyloxane (PubChem CID 174178727) has the molecular formula C6H4F8O and a molecular weight of 244.08 g/mol. Its IUPAC name is 2,2,3,3,5,5,6,6-octafluoro-4-methyloxane.

Molecular Properties

Compound Name2,2,3,3,5,5,6,6-octafluoro-4-methyloxane
PubChem CID174178727
Molecular FormulaC6H4F8O
Molecular Weight244.08 g/mol
Exact Mass244.01
IUPAC Name2,2,3,3,5,5,6,6-octafluoro-4-methyloxane
SMILESCC1C(F)(F)C(F)(F)OC(F)(F)C1(F)F
InChIInChI=1S/C6H4F8O/c1-2-3(7,8)5(11,12)15-6(13,14)4(2,9)10/h2H,1H3
InChIKeyUXGMWQYDSRXFCE-UHFFFAOYSA-N
XLogP3.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.08
LogP ≤ 53.11
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 2,2,3,3,5,5,6,6-octafluoro-4-methyloxane?
The IUPAC name of 2,2,3,3,5,5,6,6-octafluoro-4-methyloxane (CID 174178727) is 2,2,3,3,5,5,6,6-octafluoro-4-methyloxane.
What is the SMILES notation for 2,2,3,3,5,5,6,6-octafluoro-4-methyloxane?
The canonical SMILES for 2,2,3,3,5,5,6,6-octafluoro-4-methyloxane is CC1C(F)(F)C(F)(F)OC(F)(F)C1(F)F.
What is the InChIKey of 2,2,3,3,5,5,6,6-octafluoro-4-methyloxane?
The InChIKey is UXGMWQYDSRXFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F8O/c1-2-3(7,8)5(11,12)15-6(13,14)4(2,9)10/h2H,1H3.
What are the key properties of 2,2,3,3,5,5,6,6-octafluoro-4-methyloxane?
2,2,3,3,5,5,6,6-octafluoro-4-methyloxane has a molecular weight of 244.08 g/mol, XLogP of 3.11, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,5,5,6,6-octafluoro-4-methyloxane is sourced from PubChem (CID 174178727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).