5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-2-methyldeca-2,3-diene

C11H7F13 — CID 139264106

IUPAC5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-2-methyldeca-2,3-diene
SMILESCC(C)=C=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H7F13/c1-5(2)3-4-6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h4H,1-2H3
InChIKeyKXWLJCCLPWOXCY-UHFFFAOYSA-N
MW386.15 g/mol
LogP5.85
Rot. Bonds5

About 5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-2-methyldeca-2,3-diene

5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-2-methyldeca-2,3-diene (PubChem CID 139264106) has the molecular formula C11H7F13 and a molecular weight of 386.15 g/mol. Its IUPAC name is 5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-2-methyldeca-2,3-diene.

Molecular Properties

Compound Name5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-2-methyldeca-2,3-diene
PubChem CID139264106
Molecular FormulaC11H7F13
Molecular Weight386.15 g/mol
Exact Mass386.03
IUPAC Name5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-2-methyldeca-2,3-diene
SMILESCC(C)=C=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H7F13/c1-5(2)3-4-6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h4H,1-2H3
InChIKeyKXWLJCCLPWOXCY-UHFFFAOYSA-N
XLogP5.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.15
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-2-methyldeca-2,3-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-2-methyldeca-2,3-diene?
The IUPAC name of 5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-2-methyldeca-2,3-diene (CID 139264106) is 5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-2-methyldeca-2,3-diene.
What is the SMILES notation for 5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-2-methyldeca-2,3-diene?
The canonical SMILES for 5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-2-methyldeca-2,3-diene is CC(C)=C=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-2-methyldeca-2,3-diene?
The InChIKey is KXWLJCCLPWOXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F13/c1-5(2)3-4-6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h4H,1-2H3.
What are the key properties of 5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-2-methyldeca-2,3-diene?
5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-2-methyldeca-2,3-diene has a molecular weight of 386.15 g/mol, XLogP of 5.85, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-2-methyldeca-2,3-diene is sourced from PubChem (CID 139264106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).