8,8,9,9,10,10,11,11,12,12,13,13,13-tridecafluorotridec-6-ene

C13H13F13 — CID 73089784

IUPAC8,8,9,9,10,10,11,11,12,12,13,13,13-tridecafluorotridec-6-ene
SMILESCCCCCC=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H13F13/c1-2-3-4-5-6-7-8(14,15)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26/h6-7H,2-5H2,1H3
InChIKeyCYIMORLVMXKPBZ-UHFFFAOYSA-N
MW416.22 g/mol
LogP6.86
Rot. Bonds9

About 8,8,9,9,10,10,11,11,12,12,13,13,13-tridecafluorotridec-6-ene

8,8,9,9,10,10,11,11,12,12,13,13,13-tridecafluorotridec-6-ene (PubChem CID 73089784) has the molecular formula C13H13F13 and a molecular weight of 416.22 g/mol. Its IUPAC name is 8,8,9,9,10,10,11,11,12,12,13,13,13-tridecafluorotridec-6-ene.

Molecular Properties

Compound Name8,8,9,9,10,10,11,11,12,12,13,13,13-tridecafluorotridec-6-ene
PubChem CID73089784
Molecular FormulaC13H13F13
Molecular Weight416.22 g/mol
Exact Mass416.08
IUPAC Name8,8,9,9,10,10,11,11,12,12,13,13,13-tridecafluorotridec-6-ene
SMILESCCCCCC=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H13F13/c1-2-3-4-5-6-7-8(14,15)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26/h6-7H,2-5H2,1H3
InChIKeyCYIMORLVMXKPBZ-UHFFFAOYSA-N
XLogP6.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.22
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 8,8,9,9,10,10,11,11,12,12,13,13,13-tridecafluorotridec-6-ene?
The IUPAC name of 8,8,9,9,10,10,11,11,12,12,13,13,13-tridecafluorotridec-6-ene (CID 73089784) is 8,8,9,9,10,10,11,11,12,12,13,13,13-tridecafluorotridec-6-ene.
What is the SMILES notation for 8,8,9,9,10,10,11,11,12,12,13,13,13-tridecafluorotridec-6-ene?
The canonical SMILES for 8,8,9,9,10,10,11,11,12,12,13,13,13-tridecafluorotridec-6-ene is CCCCCC=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 8,8,9,9,10,10,11,11,12,12,13,13,13-tridecafluorotridec-6-ene?
The InChIKey is CYIMORLVMXKPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F13/c1-2-3-4-5-6-7-8(14,15)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26/h6-7H,2-5H2,1H3.
What are the key properties of 8,8,9,9,10,10,11,11,12,12,13,13,13-tridecafluorotridec-6-ene?
8,8,9,9,10,10,11,11,12,12,13,13,13-tridecafluorotridec-6-ene has a molecular weight of 416.22 g/mol, XLogP of 6.86, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8,9,9,10,10,11,11,12,12,13,13,13-tridecafluorotridec-6-ene is sourced from PubChem (CID 73089784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).