2,3,3,4,5,6,6-heptafluoro-2-methyl-4-(1,1,2,2-tetrafluoroethyl)oxane

C8H5F11O — CID 89139771

IUPAC2,3,3,4,5,6,6-heptafluoro-2-methyl-4-(1,1,2,2-tetrafluoroethyl)oxane
SMILESCC1(F)OC(F)(F)C(F)C(F)(C(F)(F)C(F)F)C1(F)F
InChIInChI=1S/C8H5F11O/c1-4(12)8(18,19)5(13,6(14,15)3(10)11)2(9)7(16,17)20-4/h2-3H,1H3
InChIKeyFXCRXLPZOKOBMI-UHFFFAOYSA-N
MW326.11 g/mol
LogP3.88
Rot. Bonds2

About 2,3,3,4,5,6,6-heptafluoro-2-methyl-4-(1,1,2,2-tetrafluoroethyl)oxane

2,3,3,4,5,6,6-heptafluoro-2-methyl-4-(1,1,2,2-tetrafluoroethyl)oxane (PubChem CID 89139771) has the molecular formula C8H5F11O and a molecular weight of 326.11 g/mol. Its IUPAC name is 2,3,3,4,5,6,6-heptafluoro-2-methyl-4-(1,1,2,2-tetrafluoroethyl)oxane.

Molecular Properties

Compound Name2,3,3,4,5,6,6-heptafluoro-2-methyl-4-(1,1,2,2-tetrafluoroethyl)oxane
PubChem CID89139771
Molecular FormulaC8H5F11O
Molecular Weight326.11 g/mol
Exact Mass326.02
IUPAC Name2,3,3,4,5,6,6-heptafluoro-2-methyl-4-(1,1,2,2-tetrafluoroethyl)oxane
SMILESCC1(F)OC(F)(F)C(F)C(F)(C(F)(F)C(F)F)C1(F)F
InChIInChI=1S/C8H5F11O/c1-4(12)8(18,19)5(13,6(14,15)3(10)11)2(9)7(16,17)20-4/h2-3H,1H3
InChIKeyFXCRXLPZOKOBMI-UHFFFAOYSA-N
XLogP3.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.11
LogP ≤ 53.88
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 2,3,3,4,5,6,6-heptafluoro-2-methyl-4-(1,1,2,2-tetrafluoroethyl)oxane?
The IUPAC name of 2,3,3,4,5,6,6-heptafluoro-2-methyl-4-(1,1,2,2-tetrafluoroethyl)oxane (CID 89139771) is 2,3,3,4,5,6,6-heptafluoro-2-methyl-4-(1,1,2,2-tetrafluoroethyl)oxane.
What is the SMILES notation for 2,3,3,4,5,6,6-heptafluoro-2-methyl-4-(1,1,2,2-tetrafluoroethyl)oxane?
The canonical SMILES for 2,3,3,4,5,6,6-heptafluoro-2-methyl-4-(1,1,2,2-tetrafluoroethyl)oxane is CC1(F)OC(F)(F)C(F)C(F)(C(F)(F)C(F)F)C1(F)F.
What is the InChIKey of 2,3,3,4,5,6,6-heptafluoro-2-methyl-4-(1,1,2,2-tetrafluoroethyl)oxane?
The InChIKey is FXCRXLPZOKOBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F11O/c1-4(12)8(18,19)5(13,6(14,15)3(10)11)2(9)7(16,17)20-4/h2-3H,1H3.
What are the key properties of 2,3,3,4,5,6,6-heptafluoro-2-methyl-4-(1,1,2,2-tetrafluoroethyl)oxane?
2,3,3,4,5,6,6-heptafluoro-2-methyl-4-(1,1,2,2-tetrafluoroethyl)oxane has a molecular weight of 326.11 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,4,5,6,6-heptafluoro-2-methyl-4-(1,1,2,2-tetrafluoroethyl)oxane is sourced from PubChem (CID 89139771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).