1,3,6,8,11,11,12,12,13,13,14,14-dodecafluoro-4,5-dimethyltetracyclo[6.2.2.23,6.02,7]tetradeca-4,9-diene

C16H10F12 — CID 588499

IUPAC1,3,6,8,11,11,12,12,13,13,14,14-dodecafluoro-4,5-dimethyltetracyclo[6.2.2.23,6.02,7]tetradeca-4,9-diene
SMILESCC1=C(C)C2(F)C3C(C4(F)C=CC3(F)C(F)(F)C4(F)F)C1(F)C(F)(F)C2(F)F
InChIInChI=1S/C16H10F12/c1-5-6(2)12(20)8-7(11(5,19)15(25,26)16(12,27)28)9(17)3-4-10(8,18)14(23,24)13(9,21)22/h3-4,7-8H,1-2H3
InChIKeyRWCUUBOBTSAJMA-UHFFFAOYSA-N
MW430.23 g/mol
LogP5.54
Rot. Bonds

About 1,3,6,8,11,11,12,12,13,13,14,14-dodecafluoro-4,5-dimethyltetracyclo[6.2.2.23,6.02,7]tetradeca-4,9-diene

1,3,6,8,11,11,12,12,13,13,14,14-dodecafluoro-4,5-dimethyltetracyclo[6.2.2.23,6.02,7]tetradeca-4,9-diene (PubChem CID 588499) has the molecular formula C16H10F12 and a molecular weight of 430.23 g/mol. Its IUPAC name is 1,3,6,8,11,11,12,12,13,13,14,14-dodecafluoro-4,5-dimethyltetracyclo[6.2.2.23,6.02,7]tetradeca-4,9-diene.

Molecular Properties

Compound Name1,3,6,8,11,11,12,12,13,13,14,14-dodecafluoro-4,5-dimethyltetracyclo[6.2.2.23,6.02,7]tetradeca-4,9-diene
PubChem CID588499
Molecular FormulaC16H10F12
Molecular Weight430.23 g/mol
Exact Mass430.06
IUPAC Name1,3,6,8,11,11,12,12,13,13,14,14-dodecafluoro-4,5-dimethyltetracyclo[6.2.2.23,6.02,7]tetradeca-4,9-diene
SMILESCC1=C(C)C2(F)C3C(C4(F)C=CC3(F)C(F)(F)C4(F)F)C1(F)C(F)(F)C2(F)F
InChIInChI=1S/C16H10F12/c1-5-6(2)12(20)8-7(11(5,19)15(25,26)16(12,27)28)9(17)3-4-10(8,18)14(23,24)13(9,21)22/h3-4,7-8H,1-2H3
InChIKeyRWCUUBOBTSAJMA-UHFFFAOYSA-N
XLogP5.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.23
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,3,6,8,11,11,12,12,13,13,14,14-dodecafluoro-4,5-dimethyltetracyclo[6.2.2.23,6.02,7]tetradeca-4,9-diene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,3,6,8,11,11,12,12,13,13,14,14-dodecafluoro-4,5-dimethyltetracyclo[6.2.2.23,6.02,7]tetradeca-4,9-diene?
The IUPAC name of 1,3,6,8,11,11,12,12,13,13,14,14-dodecafluoro-4,5-dimethyltetracyclo[6.2.2.23,6.02,7]tetradeca-4,9-diene (CID 588499) is 1,3,6,8,11,11,12,12,13,13,14,14-dodecafluoro-4,5-dimethyltetracyclo[6.2.2.23,6.02,7]tetradeca-4,9-diene.
What is the SMILES notation for 1,3,6,8,11,11,12,12,13,13,14,14-dodecafluoro-4,5-dimethyltetracyclo[6.2.2.23,6.02,7]tetradeca-4,9-diene?
The canonical SMILES for 1,3,6,8,11,11,12,12,13,13,14,14-dodecafluoro-4,5-dimethyltetracyclo[6.2.2.23,6.02,7]tetradeca-4,9-diene is CC1=C(C)C2(F)C3C(C4(F)C=CC3(F)C(F)(F)C4(F)F)C1(F)C(F)(F)C2(F)F.
What is the InChIKey of 1,3,6,8,11,11,12,12,13,13,14,14-dodecafluoro-4,5-dimethyltetracyclo[6.2.2.23,6.02,7]tetradeca-4,9-diene?
The InChIKey is RWCUUBOBTSAJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F12/c1-5-6(2)12(20)8-7(11(5,19)15(25,26)16(12,27)28)9(17)3-4-10(8,18)14(23,24)13(9,21)22/h3-4,7-8H,1-2H3.
What are the key properties of 1,3,6,8,11,11,12,12,13,13,14,14-dodecafluoro-4,5-dimethyltetracyclo[6.2.2.23,6.02,7]tetradeca-4,9-diene?
1,3,6,8,11,11,12,12,13,13,14,14-dodecafluoro-4,5-dimethyltetracyclo[6.2.2.23,6.02,7]tetradeca-4,9-diene has a molecular weight of 430.23 g/mol, XLogP of 5.54, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6,8,11,11,12,12,13,13,14,14-dodecafluoro-4,5-dimethyltetracyclo[6.2.2.23,6.02,7]tetradeca-4,9-diene is sourced from PubChem (CID 588499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).