(E)-1-azido-5-fluoropentadec-2-ene

C15H28FN3 — CID 154714645

IUPAC(E)-1-azido-5-fluoropentadec-2-ene
SMILESCCCCCCCCCCC(F)C/C=C/CN=[N+]=[N-]
InChIInChI=1S/C15H28FN3/c1-2-3-4-5-6-7-8-9-12-15(16)13-10-11-14-18-19-17/h10-11,15H,2-9,12-14H2,1H3/b11-10+
InChIKeyFKTXJKDNJMMMNL-ZHACJKMWSA-N
MW269.41 g/mol
LogP6.11
Rot. Bonds13

About (E)-1-azido-5-fluoropentadec-2-ene

(E)-1-azido-5-fluoropentadec-2-ene (PubChem CID 154714645) has the molecular formula C15H28FN3 and a molecular weight of 269.41 g/mol. Its IUPAC name is (E)-1-azido-5-fluoropentadec-2-ene.

Molecular Properties

Compound Name(E)-1-azido-5-fluoropentadec-2-ene
PubChem CID154714645
Molecular FormulaC15H28FN3
Molecular Weight269.41 g/mol
Exact Mass269.23
IUPAC Name(E)-1-azido-5-fluoropentadec-2-ene
SMILESCCCCCCCCCCC(F)C/C=C/CN=[N+]=[N-]
InChIInChI=1S/C15H28FN3/c1-2-3-4-5-6-7-8-9-12-15(16)13-10-11-14-18-19-17/h10-11,15H,2-9,12-14H2,1H3/b11-10+
InChIKeyFKTXJKDNJMMMNL-ZHACJKMWSA-N
XLogP6.11
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.41
LogP ≤ 56.11
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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Related Compounds

(E)-11-azido-1,1,1-trifluoroundec-3-ene
CID 90276511
(Z)-1-azidododec-5-ene
CID 10656025
(E)-1-azidooct-2-ene
CID 14415560
1-Azidohexadec-7-ene
CID 54568004
1-Azidooct-2-ene
CID 57119076
1-Azidotridec-2-ene
CID 85563484
(2E,4E)-1-Azidodeca-2,4-diene
CID 118023486
(2E,4E)-1-azidododeca-2,4-diene
CID 118028603
(Z)-1-azidotetradec-5-ene
CID 121367151
imino-[(E)-tridec-2-enyl]iminoazanium
CID 123168009
1-Azidododeca-2,4-diene
CID 123761820
1-Azidodeca-2,4-diene
CID 151115774

Frequently Asked Questions

What is the IUPAC name of (E)-1-azido-5-fluoropentadec-2-ene?
The IUPAC name of (E)-1-azido-5-fluoropentadec-2-ene (CID 154714645) is (E)-1-azido-5-fluoropentadec-2-ene.
What is the SMILES notation for (E)-1-azido-5-fluoropentadec-2-ene?
The canonical SMILES for (E)-1-azido-5-fluoropentadec-2-ene is CCCCCCCCCCC(F)C/C=C/CN=[N+]=[N-].
What is the InChIKey of (E)-1-azido-5-fluoropentadec-2-ene?
The InChIKey is FKTXJKDNJMMMNL-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H28FN3/c1-2-3-4-5-6-7-8-9-12-15(16)13-10-11-14-18-19-17/h10-11,15H,2-9,12-14H2,1H3/b11-10+.
What are the key properties of (E)-1-azido-5-fluoropentadec-2-ene?
(E)-1-azido-5-fluoropentadec-2-ene has a molecular weight of 269.41 g/mol, XLogP of 6.11, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-azido-5-fluoropentadec-2-ene is sourced from PubChem (CID 154714645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).