(E)-11-azido-1,1,1-trifluoroundec-3-ene

C11H18F3N3 — CID 90276511

IUPAC(E)-11-azido-1,1,1-trifluoroundec-3-ene
SMILES[N-]=[N+]=NCCCCCCC/C=C/CC(F)(F)F
InChIInChI=1S/C11H18F3N3/c12-11(13,14)9-7-5-3-1-2-4-6-8-10-16-17-15/h5,7H,1-4,6,8-10H2/b7-5+
InChIKeyBYZZXMYVRXCYJA-FNORWQNLSA-N
MW249.28 g/mol
LogP5.15
Rot. Bonds9

About (E)-11-azido-1,1,1-trifluoroundec-3-ene

(E)-11-azido-1,1,1-trifluoroundec-3-ene (PubChem CID 90276511) has the molecular formula C11H18F3N3 and a molecular weight of 249.28 g/mol. Its IUPAC name is (E)-11-azido-1,1,1-trifluoroundec-3-ene.

Molecular Properties

Compound Name(E)-11-azido-1,1,1-trifluoroundec-3-ene
PubChem CID90276511
Molecular FormulaC11H18F3N3
Molecular Weight249.28 g/mol
Exact Mass249.15
IUPAC Name(E)-11-azido-1,1,1-trifluoroundec-3-ene
SMILES[N-]=[N+]=NCCCCCCC/C=C/CC(F)(F)F
InChIInChI=1S/C11H18F3N3/c12-11(13,14)9-7-5-3-1-2-4-6-8-10-16-17-15/h5,7H,1-4,6,8-10H2/b7-5+
InChIKeyBYZZXMYVRXCYJA-FNORWQNLSA-N
XLogP5.15
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500249.28
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-11-azido-1,1,1-trifluoroundec-3-ene?
The IUPAC name of (E)-11-azido-1,1,1-trifluoroundec-3-ene (CID 90276511) is (E)-11-azido-1,1,1-trifluoroundec-3-ene.
What is the SMILES notation for (E)-11-azido-1,1,1-trifluoroundec-3-ene?
The canonical SMILES for (E)-11-azido-1,1,1-trifluoroundec-3-ene is [N-]=[N+]=NCCCCCCC/C=C/CC(F)(F)F.
What is the InChIKey of (E)-11-azido-1,1,1-trifluoroundec-3-ene?
The InChIKey is BYZZXMYVRXCYJA-FNORWQNLSA-N. The full InChI is InChI=1S/C11H18F3N3/c12-11(13,14)9-7-5-3-1-2-4-6-8-10-16-17-15/h5,7H,1-4,6,8-10H2/b7-5+.
What are the key properties of (E)-11-azido-1,1,1-trifluoroundec-3-ene?
(E)-11-azido-1,1,1-trifluoroundec-3-ene has a molecular weight of 249.28 g/mol, XLogP of 5.15, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-11-azido-1,1,1-trifluoroundec-3-ene is sourced from PubChem (CID 90276511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).