(E)-1,1,1,2,2,3,3,4,4-nonafluorotetradec-5-ene

C14H19F9 — CID 98453253

IUPAC(E)-1,1,1,2,2,3,3,4,4-nonafluorotetradec-5-ene
SMILESCCCCCCCC/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H19F9/c1-2-3-4-5-6-7-8-9-10-11(15,16)12(17,18)13(19,20)14(21,22)23/h9-10H,2-8H2,1H3/b10-9+
InChIKeyIYAUTGRZIRZZES-MDZDMXLPSA-N
MW358.29 g/mol
LogP6.76
Rot. Bonds10

About (E)-1,1,1,2,2,3,3,4,4-nonafluorotetradec-5-ene

(E)-1,1,1,2,2,3,3,4,4-nonafluorotetradec-5-ene (PubChem CID 98453253) has the molecular formula C14H19F9 and a molecular weight of 358.29 g/mol. Its IUPAC name is (E)-1,1,1,2,2,3,3,4,4-nonafluorotetradec-5-ene.

Molecular Properties

Compound Name(E)-1,1,1,2,2,3,3,4,4-nonafluorotetradec-5-ene
PubChem CID98453253
Molecular FormulaC14H19F9
Molecular Weight358.29 g/mol
Exact Mass358.13
IUPAC Name(E)-1,1,1,2,2,3,3,4,4-nonafluorotetradec-5-ene
SMILESCCCCCCCC/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H19F9/c1-2-3-4-5-6-7-8-9-10-11(15,16)12(17,18)13(19,20)14(21,22)23/h9-10H,2-8H2,1H3/b10-9+
InChIKeyIYAUTGRZIRZZES-MDZDMXLPSA-N
XLogP6.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.29
LogP ≤ 56.76
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)-1,1,1,2,2,3,3,4,4-nonafluorotetradec-5-ene?
The IUPAC name of (E)-1,1,1,2,2,3,3,4,4-nonafluorotetradec-5-ene (CID 98453253) is (E)-1,1,1,2,2,3,3,4,4-nonafluorotetradec-5-ene.
What is the SMILES notation for (E)-1,1,1,2,2,3,3,4,4-nonafluorotetradec-5-ene?
The canonical SMILES for (E)-1,1,1,2,2,3,3,4,4-nonafluorotetradec-5-ene is CCCCCCCC/C=C/C(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-5-ene?
The InChIKey is IYAUTGRZIRZZES-MDZDMXLPSA-N. The full InChI is InChI=1S/C14H19F9/c1-2-3-4-5-6-7-8-9-10-11(15,16)12(17,18)13(19,20)14(21,22)23/h9-10H,2-8H2,1H3/b10-9+.
What are the key properties of (E)-1,1,1,2,2,3,3,4,4-nonafluorotetradec-5-ene?
(E)-1,1,1,2,2,3,3,4,4-nonafluorotetradec-5-ene has a molecular weight of 358.29 g/mol, XLogP of 6.76, 10 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-5-ene is sourced from PubChem (CID 98453253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).