2',2',3',3',4',4'-hexafluorospiro[3-oxatricyclo[4.2.1.02,5]non-7-ene-4,1'-cyclobutane]

C11H8F6O — CID 58679543

IUPAC2',2',3',3',4',4'-hexafluorospiro[3-oxatricyclo[4.2.1.02,5]non-7-ene-4,1'-cyclobutane]
SMILESFC1(F)C(F)(F)C2(OC3C4C=CC(C4)C32)C1(F)F
InChIInChI=1S/C11H8F6O/c12-9(13)8(10(14,15)11(9,16)17)6-4-1-2-5(3-4)7(6)18-8/h1-2,4-7H,3H2
InChIKeyOBFTTWVRFOPDLZ-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.87
Rot. Bonds

About 2',2',3',3',4',4'-hexafluorospiro[3-oxatricyclo[4.2.1.02,5]non-7-ene-4,1'-cyclobutane]

2',2',3',3',4',4'-hexafluorospiro[3-oxatricyclo[4.2.1.02,5]non-7-ene-4,1'-cyclobutane] (PubChem CID 58679543) has the molecular formula C11H8F6O and a molecular weight of 270.17 g/mol. Its IUPAC name is 2',2',3',3',4',4'-hexafluorospiro[3-oxatricyclo[4.2.1.02,5]non-7-ene-4,1'-cyclobutane].

Molecular Properties

Compound Name2',2',3',3',4',4'-hexafluorospiro[3-oxatricyclo[4.2.1.02,5]non-7-ene-4,1'-cyclobutane]
PubChem CID58679543
Molecular FormulaC11H8F6O
Molecular Weight270.17 g/mol
Exact Mass270.05
IUPAC Name2',2',3',3',4',4'-hexafluorospiro[3-oxatricyclo[4.2.1.02,5]non-7-ene-4,1'-cyclobutane]
SMILESFC1(F)C(F)(F)C2(OC3C4C=CC(C4)C32)C1(F)F
InChIInChI=1S/C11H8F6O/c12-9(13)8(10(14,15)11(9,16)17)6-4-1-2-5(3-4)7(6)18-8/h1-2,4-7H,3H2
InChIKeyOBFTTWVRFOPDLZ-UHFFFAOYSA-N
XLogP2.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2',2',3',3',4',4'-hexafluorospiro[3-oxatricyclo[4.2.1.02,5]non-7-ene-4,1'-cyclobutane]?
The IUPAC name of 2',2',3',3',4',4'-hexafluorospiro[3-oxatricyclo[4.2.1.02,5]non-7-ene-4,1'-cyclobutane] (CID 58679543) is 2',2',3',3',4',4'-hexafluorospiro[3-oxatricyclo[4.2.1.02,5]non-7-ene-4,1'-cyclobutane].
What is the SMILES notation for 2',2',3',3',4',4'-hexafluorospiro[3-oxatricyclo[4.2.1.02,5]non-7-ene-4,1'-cyclobutane]?
The canonical SMILES for 2',2',3',3',4',4'-hexafluorospiro[3-oxatricyclo[4.2.1.02,5]non-7-ene-4,1'-cyclobutane] is FC1(F)C(F)(F)C2(OC3C4C=CC(C4)C32)C1(F)F.
What is the InChIKey of 2',2',3',3',4',4'-hexafluorospiro[3-oxatricyclo[4.2.1.02,5]non-7-ene-4,1'-cyclobutane]?
The InChIKey is OBFTTWVRFOPDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F6O/c12-9(13)8(10(14,15)11(9,16)17)6-4-1-2-5(3-4)7(6)18-8/h1-2,4-7H,3H2.
What are the key properties of 2',2',3',3',4',4'-hexafluorospiro[3-oxatricyclo[4.2.1.02,5]non-7-ene-4,1'-cyclobutane]?
2',2',3',3',4',4'-hexafluorospiro[3-oxatricyclo[4.2.1.02,5]non-7-ene-4,1'-cyclobutane] has a molecular weight of 270.17 g/mol, XLogP of 2.87, 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',4',4'-hexafluorospiro[3-oxatricyclo[4.2.1.02,5]non-7-ene-4,1'-cyclobutane] is sourced from PubChem (CID 58679543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).