8,9,9,10,10,11-hexafluoro-4,4-dimethyl-3,5-dioxatetracyclo[5.4.1.02,6.08,11]dodecane

C12H12F6O2 — CID 536170

IUPAC8,9,9,10,10,11-hexafluoro-4,4-dimethyl-3,5-dioxatetracyclo[5.4.1.02,6.08,11]dodecane
SMILESCC1(C)OC2C(O1)C1CC2C2(F)C(F)(F)C(F)(F)C12F
InChIInChI=1S/C12H12F6O2/c1-8(2)19-6-4-3-5(7(6)20-8)10(14)9(4,13)11(15,16)12(10,17)18/h4-7H,3H2,1-2H3
InChIKeySSTAOBYYFVDWJB-UHFFFAOYSA-N
MW302.21 g/mol
LogP2.86
Rot. Bonds

About 8,9,9,10,10,11-hexafluoro-4,4-dimethyl-3,5-dioxatetracyclo[5.4.1.02,6.08,11]dodecane

8,9,9,10,10,11-hexafluoro-4,4-dimethyl-3,5-dioxatetracyclo[5.4.1.02,6.08,11]dodecane (PubChem CID 536170) has the molecular formula C12H12F6O2 and a molecular weight of 302.21 g/mol. Its IUPAC name is 8,9,9,10,10,11-hexafluoro-4,4-dimethyl-3,5-dioxatetracyclo[5.4.1.02,6.08,11]dodecane.

Molecular Properties

Compound Name8,9,9,10,10,11-hexafluoro-4,4-dimethyl-3,5-dioxatetracyclo[5.4.1.02,6.08,11]dodecane
PubChem CID536170
Molecular FormulaC12H12F6O2
Molecular Weight302.21 g/mol
Exact Mass302.07
IUPAC Name8,9,9,10,10,11-hexafluoro-4,4-dimethyl-3,5-dioxatetracyclo[5.4.1.02,6.08,11]dodecane
SMILESCC1(C)OC2C(O1)C1CC2C2(F)C(F)(F)C(F)(F)C12F
InChIInChI=1S/C12H12F6O2/c1-8(2)19-6-4-3-5(7(6)20-8)10(14)9(4,13)11(15,16)12(10,17)18/h4-7H,3H2,1-2H3
InChIKeySSTAOBYYFVDWJB-UHFFFAOYSA-N
XLogP2.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.21
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 8,9,9,10,10,11-hexafluoro-4,4-dimethyl-3,5-dioxatetracyclo[5.4.1.02,6.08,11]dodecane?
The IUPAC name of 8,9,9,10,10,11-hexafluoro-4,4-dimethyl-3,5-dioxatetracyclo[5.4.1.02,6.08,11]dodecane (CID 536170) is 8,9,9,10,10,11-hexafluoro-4,4-dimethyl-3,5-dioxatetracyclo[5.4.1.02,6.08,11]dodecane.
What is the SMILES notation for 8,9,9,10,10,11-hexafluoro-4,4-dimethyl-3,5-dioxatetracyclo[5.4.1.02,6.08,11]dodecane?
The canonical SMILES for 8,9,9,10,10,11-hexafluoro-4,4-dimethyl-3,5-dioxatetracyclo[5.4.1.02,6.08,11]dodecane is CC1(C)OC2C(O1)C1CC2C2(F)C(F)(F)C(F)(F)C12F.
What is the InChIKey of 8,9,9,10,10,11-hexafluoro-4,4-dimethyl-3,5-dioxatetracyclo[5.4.1.02,6.08,11]dodecane?
The InChIKey is SSTAOBYYFVDWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F6O2/c1-8(2)19-6-4-3-5(7(6)20-8)10(14)9(4,13)11(15,16)12(10,17)18/h4-7H,3H2,1-2H3.
What are the key properties of 8,9,9,10,10,11-hexafluoro-4,4-dimethyl-3,5-dioxatetracyclo[5.4.1.02,6.08,11]dodecane?
8,9,9,10,10,11-hexafluoro-4,4-dimethyl-3,5-dioxatetracyclo[5.4.1.02,6.08,11]dodecane has a molecular weight of 302.21 g/mol, XLogP of 2.86, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9,9,10,10,11-hexafluoro-4,4-dimethyl-3,5-dioxatetracyclo[5.4.1.02,6.08,11]dodecane is sourced from PubChem (CID 536170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).