5-azido-4-fluoropentanenitrile

C5H7FN4 — CID 118627325

IUPAC5-azido-4-fluoropentanenitrile
SMILESN#CCCC(F)CN=[N+]=[N-]
InChIInChI=1S/C5H7FN4/c6-5(2-1-3-7)4-9-10-8/h5H,1-2,4H2
InChIKeyKVXIPKUIWBQXBZ-UHFFFAOYSA-N
MW142.14 g/mol
LogP1.94
Rot. Bonds4

About 5-azido-4-fluoropentanenitrile

5-azido-4-fluoropentanenitrile (PubChem CID 118627325) has the molecular formula C5H7FN4 and a molecular weight of 142.14 g/mol. Its IUPAC name is 5-azido-4-fluoropentanenitrile.

Molecular Properties

Compound Name5-azido-4-fluoropentanenitrile
PubChem CID118627325
Molecular FormulaC5H7FN4
Molecular Weight142.14 g/mol
Exact Mass142.07
IUPAC Name5-azido-4-fluoropentanenitrile
SMILESN#CCCC(F)CN=[N+]=[N-]
InChIInChI=1S/C5H7FN4/c6-5(2-1-3-7)4-9-10-8/h5H,1-2,4H2
InChIKeyKVXIPKUIWBQXBZ-UHFFFAOYSA-N
XLogP1.94
TPSA72.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.14
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-azido-4-fluoropentanenitrile?
The IUPAC name of 5-azido-4-fluoropentanenitrile (CID 118627325) is 5-azido-4-fluoropentanenitrile.
What is the SMILES notation for 5-azido-4-fluoropentanenitrile?
The canonical SMILES for 5-azido-4-fluoropentanenitrile is N#CCCC(F)CN=[N+]=[N-].
What is the InChIKey of 5-azido-4-fluoropentanenitrile?
The InChIKey is KVXIPKUIWBQXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FN4/c6-5(2-1-3-7)4-9-10-8/h5H,1-2,4H2.
What are the key properties of 5-azido-4-fluoropentanenitrile?
5-azido-4-fluoropentanenitrile has a molecular weight of 142.14 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azido-4-fluoropentanenitrile is sourced from PubChem (CID 118627325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).