8-ethenyl-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-7,10-dimethylundecane

C15H17F13 — CID 163735065

IUPAC8-ethenyl-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-7,10-dimethylundecane
SMILESC=CC(CC(C)C)C(C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H17F13/c1-5-9(6-7(2)3)8(4)10(16,17)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)28/h5,7-9H,1,6H2,2-4H3
InChIKeyLCWUECKRVZCGNT-UHFFFAOYSA-N
MW444.28 g/mol
LogP7.21
Rot. Bonds9

About 8-ethenyl-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-7,10-dimethylundecane

8-ethenyl-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-7,10-dimethylundecane (PubChem CID 163735065) has the molecular formula C15H17F13 and a molecular weight of 444.28 g/mol. Its IUPAC name is 8-ethenyl-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-7,10-dimethylundecane.

Molecular Properties

Compound Name8-ethenyl-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-7,10-dimethylundecane
PubChem CID163735065
Molecular FormulaC15H17F13
Molecular Weight444.28 g/mol
Exact Mass444.11
IUPAC Name8-ethenyl-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-7,10-dimethylundecane
SMILESC=CC(CC(C)C)C(C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H17F13/c1-5-9(6-7(2)3)8(4)10(16,17)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)28/h5,7-9H,1,6H2,2-4H3
InChIKeyLCWUECKRVZCGNT-UHFFFAOYSA-N
XLogP7.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.28
LogP ≤ 57.21
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'}

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Frequently Asked Questions

What is the IUPAC name of 8-ethenyl-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-7,10-dimethylundecane?
The IUPAC name of 8-ethenyl-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-7,10-dimethylundecane (CID 163735065) is 8-ethenyl-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-7,10-dimethylundecane.
What is the SMILES notation for 8-ethenyl-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-7,10-dimethylundecane?
The canonical SMILES for 8-ethenyl-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-7,10-dimethylundecane is C=CC(CC(C)C)C(C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 8-ethenyl-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-7,10-dimethylundecane?
The InChIKey is LCWUECKRVZCGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F13/c1-5-9(6-7(2)3)8(4)10(16,17)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)28/h5,7-9H,1,6H2,2-4H3.
What are the key properties of 8-ethenyl-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-7,10-dimethylundecane?
8-ethenyl-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-7,10-dimethylundecane has a molecular weight of 444.28 g/mol, XLogP of 7.21, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethenyl-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-7,10-dimethylundecane is sourced from PubChem (CID 163735065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).