1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoropentadec-7-ene

C15H17F13 — CID 138396309

IUPAC1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoropentadec-7-ene
SMILESCCCCCCCC=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H17F13/c1-2-3-4-5-6-7-8-9-10(16,17)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)28/h8-9H,2-7H2,1H3
InChIKeyOLZXZQQEKJLLNV-UHFFFAOYSA-N
MW444.28 g/mol
LogP7.64
Rot. Bonds11

About 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoropentadec-7-ene

1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoropentadec-7-ene (PubChem CID 138396309) has the molecular formula C15H17F13 and a molecular weight of 444.28 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoropentadec-7-ene.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoropentadec-7-ene
PubChem CID138396309
Molecular FormulaC15H17F13
Molecular Weight444.28 g/mol
Exact Mass444.11
IUPAC Name1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoropentadec-7-ene
SMILESCCCCCCCC=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H17F13/c1-2-3-4-5-6-7-8-9-10(16,17)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)28/h8-9H,2-7H2,1H3
InChIKeyOLZXZQQEKJLLNV-UHFFFAOYSA-N
XLogP7.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.28
LogP ≤ 57.64
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 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoropentadec-7-ene?
The IUPAC name of 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoropentadec-7-ene (CID 138396309) is 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoropentadec-7-ene.
What is the SMILES notation for 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoropentadec-7-ene?
The canonical SMILES for 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoropentadec-7-ene is CCCCCCCC=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoropentadec-7-ene?
The InChIKey is OLZXZQQEKJLLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F13/c1-2-3-4-5-6-7-8-9-10(16,17)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)28/h8-9H,2-7H2,1H3.
What are the key properties of 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoropentadec-7-ene?
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoropentadec-7-ene has a molecular weight of 444.28 g/mol, XLogP of 7.64, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoropentadec-7-ene is sourced from PubChem (CID 138396309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).