2,3,3,4,4,5,5,6-octafluoro-9-oxatetracyclo[5.3.1.02,6.08,10]undecane

C10H6F8O — CID 12040133

IUPAC2,3,3,4,4,5,5,6-octafluoro-9-oxatetracyclo[5.3.1.02,6.08,10]undecane
SMILESFC1(F)C(F)(F)C2(F)C3CC(C4OC43)C2(F)C1(F)F
InChIInChI=1S/C10H6F8O/c11-6-2-1-3(5-4(2)19-5)7(6,12)9(15,16)10(17,18)8(6,13)14/h2-5H,1H2
InChIKeyVBXLFTDYWZTBFC-UHFFFAOYSA-N
MW294.14 g/mol
LogP2.74
Rot. Bonds

About 2,3,3,4,4,5,5,6-octafluoro-9-oxatetracyclo[5.3.1.02,6.08,10]undecane

2,3,3,4,4,5,5,6-octafluoro-9-oxatetracyclo[5.3.1.02,6.08,10]undecane (PubChem CID 12040133) has the molecular formula C10H6F8O and a molecular weight of 294.14 g/mol. Its IUPAC name is 2,3,3,4,4,5,5,6-octafluoro-9-oxatetracyclo[5.3.1.02,6.08,10]undecane.

Molecular Properties

Compound Name2,3,3,4,4,5,5,6-octafluoro-9-oxatetracyclo[5.3.1.02,6.08,10]undecane
PubChem CID12040133
Molecular FormulaC10H6F8O
Molecular Weight294.14 g/mol
Exact Mass294.03
IUPAC Name2,3,3,4,4,5,5,6-octafluoro-9-oxatetracyclo[5.3.1.02,6.08,10]undecane
SMILESFC1(F)C(F)(F)C2(F)C3CC(C4OC43)C2(F)C1(F)F
InChIInChI=1S/C10H6F8O/c11-6-2-1-3(5-4(2)19-5)7(6,12)9(15,16)10(17,18)8(6,13)14/h2-5H,1H2
InChIKeyVBXLFTDYWZTBFC-UHFFFAOYSA-N
XLogP2.74
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.14
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,3,4,4,5,5,6-octafluoro-9-oxatetracyclo[5.3.1.02,6.08,10]undecane?
The IUPAC name of 2,3,3,4,4,5,5,6-octafluoro-9-oxatetracyclo[5.3.1.02,6.08,10]undecane (CID 12040133) is 2,3,3,4,4,5,5,6-octafluoro-9-oxatetracyclo[5.3.1.02,6.08,10]undecane.
What is the SMILES notation for 2,3,3,4,4,5,5,6-octafluoro-9-oxatetracyclo[5.3.1.02,6.08,10]undecane?
The canonical SMILES for 2,3,3,4,4,5,5,6-octafluoro-9-oxatetracyclo[5.3.1.02,6.08,10]undecane is FC1(F)C(F)(F)C2(F)C3CC(C4OC43)C2(F)C1(F)F.
What is the InChIKey of 2,3,3,4,4,5,5,6-octafluoro-9-oxatetracyclo[5.3.1.02,6.08,10]undecane?
The InChIKey is VBXLFTDYWZTBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F8O/c11-6-2-1-3(5-4(2)19-5)7(6,12)9(15,16)10(17,18)8(6,13)14/h2-5H,1H2.
What are the key properties of 2,3,3,4,4,5,5,6-octafluoro-9-oxatetracyclo[5.3.1.02,6.08,10]undecane?
2,3,3,4,4,5,5,6-octafluoro-9-oxatetracyclo[5.3.1.02,6.08,10]undecane has a molecular weight of 294.14 g/mol, XLogP of 2.74, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,4,4,5,5,6-octafluoro-9-oxatetracyclo[5.3.1.02,6.08,10]undecane is sourced from PubChem (CID 12040133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).