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

C11H9F7O — CID 22088754

IUPAC2,3,3,4,5,5,6-heptafluoro-4-methyl-9-oxatetracyclo[5.3.1.02,6.08,10]undecane
SMILESCC1(F)C(F)(F)C2(F)C3CC(C4OC43)C2(F)C1(F)F
InChIInChI=1S/C11H9F7O/c1-7(12)10(15,16)8(13)3-2-4(6-5(3)19-6)9(8,14)11(7,17)18/h3-6H,2H2,1H3
InChIKeyYWTOLBSHNVIPAJ-UHFFFAOYSA-N
MW290.18 g/mol
LogP2.83
Rot. Bonds

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

2,3,3,4,5,5,6-heptafluoro-4-methyl-9-oxatetracyclo[5.3.1.02,6.08,10]undecane (PubChem CID 22088754) has the molecular formula C11H9F7O and a molecular weight of 290.18 g/mol. Its IUPAC name is 2,3,3,4,5,5,6-heptafluoro-4-methyl-9-oxatetracyclo[5.3.1.02,6.08,10]undecane.

Molecular Properties

Compound Name2,3,3,4,5,5,6-heptafluoro-4-methyl-9-oxatetracyclo[5.3.1.02,6.08,10]undecane
PubChem CID22088754
Molecular FormulaC11H9F7O
Molecular Weight290.18 g/mol
Exact Mass290.05
IUPAC Name2,3,3,4,5,5,6-heptafluoro-4-methyl-9-oxatetracyclo[5.3.1.02,6.08,10]undecane
SMILESCC1(F)C(F)(F)C2(F)C3CC(C4OC43)C2(F)C1(F)F
InChIInChI=1S/C11H9F7O/c1-7(12)10(15,16)8(13)3-2-4(6-5(3)19-6)9(8,14)11(7,17)18/h3-6H,2H2,1H3
InChIKeyYWTOLBSHNVIPAJ-UHFFFAOYSA-N
XLogP2.83
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.18
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,3,4,5,5,6-heptafluoro-4-methyl-9-oxatetracyclo[5.3.1.02,6.08,10]undecane?
The IUPAC name of 2,3,3,4,5,5,6-heptafluoro-4-methyl-9-oxatetracyclo[5.3.1.02,6.08,10]undecane (CID 22088754) is 2,3,3,4,5,5,6-heptafluoro-4-methyl-9-oxatetracyclo[5.3.1.02,6.08,10]undecane.
What is the SMILES notation for 2,3,3,4,5,5,6-heptafluoro-4-methyl-9-oxatetracyclo[5.3.1.02,6.08,10]undecane?
The canonical SMILES for 2,3,3,4,5,5,6-heptafluoro-4-methyl-9-oxatetracyclo[5.3.1.02,6.08,10]undecane is CC1(F)C(F)(F)C2(F)C3CC(C4OC43)C2(F)C1(F)F.
What is the InChIKey of 2,3,3,4,5,5,6-heptafluoro-4-methyl-9-oxatetracyclo[5.3.1.02,6.08,10]undecane?
The InChIKey is YWTOLBSHNVIPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F7O/c1-7(12)10(15,16)8(13)3-2-4(6-5(3)19-6)9(8,14)11(7,17)18/h3-6H,2H2,1H3.
What are the key properties of 2,3,3,4,5,5,6-heptafluoro-4-methyl-9-oxatetracyclo[5.3.1.02,6.08,10]undecane?
2,3,3,4,5,5,6-heptafluoro-4-methyl-9-oxatetracyclo[5.3.1.02,6.08,10]undecane has a molecular weight of 290.18 g/mol, XLogP of 2.83, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,4,5,5,6-heptafluoro-4-methyl-9-oxatetracyclo[5.3.1.02,6.08,10]undecane is sourced from PubChem (CID 22088754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).