(E)-8,8,9,9,10,10,11,11,12,12,13,13,13-tridecafluorotridec-6-ene

C13H13F13 — CID 11761506

IUPAC(E)-8,8,9,9,10,10,11,11,12,12,13,13,13-tridecafluorotridec-6-ene
SMILESCCCCC/C=C/C(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/b7-6+
InChIKeyCYIMORLVMXKPBZ-VOTSOKGWSA-N
MW416.22 g/mol
LogP6.86
Rot. Bonds9

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

(E)-8,8,9,9,10,10,11,11,12,12,13,13,13-tridecafluorotridec-6-ene (PubChem CID 11761506) has the molecular formula C13H13F13 and a molecular weight of 416.22 g/mol. Its IUPAC name is (E)-8,8,9,9,10,10,11,11,12,12,13,13,13-tridecafluorotridec-6-ene.

Molecular Properties

Compound Name(E)-8,8,9,9,10,10,11,11,12,12,13,13,13-tridecafluorotridec-6-ene
PubChem CID11761506
Molecular FormulaC13H13F13
Molecular Weight416.22 g/mol
Exact Mass416.08
IUPAC Name(E)-8,8,9,9,10,10,11,11,12,12,13,13,13-tridecafluorotridec-6-ene
SMILESCCCCC/C=C/C(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/b7-6+
InChIKeyCYIMORLVMXKPBZ-VOTSOKGWSA-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 (E)-8,8,9,9,10,10,11,11,12,12,13,13,13-tridecafluorotridec-6-ene?
The IUPAC name of (E)-8,8,9,9,10,10,11,11,12,12,13,13,13-tridecafluorotridec-6-ene (CID 11761506) is (E)-8,8,9,9,10,10,11,11,12,12,13,13,13-tridecafluorotridec-6-ene.
What is the SMILES notation for (E)-8,8,9,9,10,10,11,11,12,12,13,13,13-tridecafluorotridec-6-ene?
The canonical SMILES for (E)-8,8,9,9,10,10,11,11,12,12,13,13,13-tridecafluorotridec-6-ene is CCCCC/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 (E)-8,8,9,9,10,10,11,11,12,12,13,13,13-tridecafluorotridec-6-ene?
The InChIKey is CYIMORLVMXKPBZ-VOTSOKGWSA-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/b7-6+.
What are the key properties of (E)-8,8,9,9,10,10,11,11,12,12,13,13,13-tridecafluorotridec-6-ene?
(E)-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 (E)-8,8,9,9,10,10,11,11,12,12,13,13,13-tridecafluorotridec-6-ene is sourced from PubChem (CID 11761506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).