(E)-1,1,1,2,2,3,3,4,4-nonafluorotetradec-7-en-5-yne

C14H15F9 — CID 14690049

IUPAC(E)-1,1,1,2,2,3,3,4,4-nonafluorotetradec-7-en-5-yne
SMILESCCCCCC/C=C/C#CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H15F9/c1-2-3-4-5-6-7-8-9-10-11(15,16)12(17,18)13(19,20)14(21,22)23/h7-8H,2-6H2,1H3/b8-7+
InChIKeyZDKCUAHUZBEPMD-BQYQJAHWSA-N
MW354.26 g/mol
LogP5.98
Rot. Bonds7

About (E)-1,1,1,2,2,3,3,4,4-nonafluorotetradec-7-en-5-yne

(E)-1,1,1,2,2,3,3,4,4-nonafluorotetradec-7-en-5-yne (PubChem CID 14690049) has the molecular formula C14H15F9 and a molecular weight of 354.26 g/mol. Its IUPAC name is (E)-1,1,1,2,2,3,3,4,4-nonafluorotetradec-7-en-5-yne.

Molecular Properties

Compound Name(E)-1,1,1,2,2,3,3,4,4-nonafluorotetradec-7-en-5-yne
PubChem CID14690049
Molecular FormulaC14H15F9
Molecular Weight354.26 g/mol
Exact Mass354.10
IUPAC Name(E)-1,1,1,2,2,3,3,4,4-nonafluorotetradec-7-en-5-yne
SMILESCCCCCC/C=C/C#CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H15F9/c1-2-3-4-5-6-7-8-9-10-11(15,16)12(17,18)13(19,20)14(21,22)23/h7-8H,2-6H2,1H3/b8-7+
InChIKeyZDKCUAHUZBEPMD-BQYQJAHWSA-N
XLogP5.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.26
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1,1,1,2,2,3,3,4,4-nonafluorotetradec-7-en-5-yne?
The IUPAC name of (E)-1,1,1,2,2,3,3,4,4-nonafluorotetradec-7-en-5-yne (CID 14690049) is (E)-1,1,1,2,2,3,3,4,4-nonafluorotetradec-7-en-5-yne.
What is the SMILES notation for (E)-1,1,1,2,2,3,3,4,4-nonafluorotetradec-7-en-5-yne?
The canonical SMILES for (E)-1,1,1,2,2,3,3,4,4-nonafluorotetradec-7-en-5-yne is CCCCCC/C=C/C#CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of (E)-1,1,1,2,2,3,3,4,4-nonafluorotetradec-7-en-5-yne?
The InChIKey is ZDKCUAHUZBEPMD-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H15F9/c1-2-3-4-5-6-7-8-9-10-11(15,16)12(17,18)13(19,20)14(21,22)23/h7-8H,2-6H2,1H3/b8-7+.
What are the key properties of (E)-1,1,1,2,2,3,3,4,4-nonafluorotetradec-7-en-5-yne?
(E)-1,1,1,2,2,3,3,4,4-nonafluorotetradec-7-en-5-yne has a molecular weight of 354.26 g/mol, XLogP of 5.98, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,1,2,2,3,3,4,4-nonafluorotetradec-7-en-5-yne is sourced from PubChem (CID 14690049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).