2,2,3,4,4,5,5,6-octafluoro-3-(1,1,2,2,2-pentafluoroethyl)oxane

C7HF13O — CID 88795069

IUPAC2,2,3,4,4,5,5,6-octafluoro-3-(1,1,2,2,2-pentafluoroethyl)oxane
SMILESFC1OC(F)(F)C(F)(C(F)(F)C(F)(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C7HF13O/c8-1-2(9,10)4(12,13)3(11,7(19,20)21-1)5(14,15)6(16,17)18/h1H
InChIKeyICZDMRKXRUTSFZ-UHFFFAOYSA-N
MW348.06 g/mol
LogP4.08
Rot. Bonds1

About 2,2,3,4,4,5,5,6-octafluoro-3-(1,1,2,2,2-pentafluoroethyl)oxane

2,2,3,4,4,5,5,6-octafluoro-3-(1,1,2,2,2-pentafluoroethyl)oxane (PubChem CID 88795069) has the molecular formula C7HF13O and a molecular weight of 348.06 g/mol. Its IUPAC name is 2,2,3,4,4,5,5,6-octafluoro-3-(1,1,2,2,2-pentafluoroethyl)oxane.

Molecular Properties

Compound Name2,2,3,4,4,5,5,6-octafluoro-3-(1,1,2,2,2-pentafluoroethyl)oxane
PubChem CID88795069
Molecular FormulaC7HF13O
Molecular Weight348.06 g/mol
Exact Mass347.98
IUPAC Name2,2,3,4,4,5,5,6-octafluoro-3-(1,1,2,2,2-pentafluoroethyl)oxane
SMILESFC1OC(F)(F)C(F)(C(F)(F)C(F)(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C7HF13O/c8-1-2(9,10)4(12,13)3(11,7(19,20)21-1)5(14,15)6(16,17)18/h1H
InChIKeyICZDMRKXRUTSFZ-UHFFFAOYSA-N
XLogP4.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.06
LogP ≤ 54.08
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 2,2,3,4,4,5,5,6-octafluoro-3-(1,1,2,2,2-pentafluoroethyl)oxane?
The IUPAC name of 2,2,3,4,4,5,5,6-octafluoro-3-(1,1,2,2,2-pentafluoroethyl)oxane (CID 88795069) is 2,2,3,4,4,5,5,6-octafluoro-3-(1,1,2,2,2-pentafluoroethyl)oxane.
What is the SMILES notation for 2,2,3,4,4,5,5,6-octafluoro-3-(1,1,2,2,2-pentafluoroethyl)oxane?
The canonical SMILES for 2,2,3,4,4,5,5,6-octafluoro-3-(1,1,2,2,2-pentafluoroethyl)oxane is FC1OC(F)(F)C(F)(C(F)(F)C(F)(F)F)C(F)(F)C1(F)F.
What is the InChIKey of 2,2,3,4,4,5,5,6-octafluoro-3-(1,1,2,2,2-pentafluoroethyl)oxane?
The InChIKey is ICZDMRKXRUTSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7HF13O/c8-1-2(9,10)4(12,13)3(11,7(19,20)21-1)5(14,15)6(16,17)18/h1H.
What are the key properties of 2,2,3,4,4,5,5,6-octafluoro-3-(1,1,2,2,2-pentafluoroethyl)oxane?
2,2,3,4,4,5,5,6-octafluoro-3-(1,1,2,2,2-pentafluoroethyl)oxane has a molecular weight of 348.06 g/mol, XLogP of 4.08, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,4,4,5,5,6-octafluoro-3-(1,1,2,2,2-pentafluoroethyl)oxane is sourced from PubChem (CID 88795069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).