1-azido-4-fluorobutane

C4H8FN3 — CID 86656428

IUPAC1-azido-4-fluorobutane
SMILES[N-]=[N+]=NCCCCF
InChIInChI=1S/C4H8FN3/c5-3-1-2-4-7-8-6/h1-4H2
InChIKeyQVZDOKNWDIGOII-UHFFFAOYSA-N
MW117.13 g/mol
LogP2.05
Rot. Bonds4

About 1-azido-4-fluorobutane

1-azido-4-fluorobutane (PubChem CID 86656428) has the molecular formula C4H8FN3 and a molecular weight of 117.13 g/mol. Its IUPAC name is 1-azido-4-fluorobutane.

Molecular Properties

Compound Name1-azido-4-fluorobutane
PubChem CID86656428
Molecular FormulaC4H8FN3
Molecular Weight117.13 g/mol
Exact Mass117.07
IUPAC Name1-azido-4-fluorobutane
SMILES[N-]=[N+]=NCCCCF
InChIInChI=1S/C4H8FN3/c5-3-1-2-4-7-8-6/h1-4H2
InChIKeyQVZDOKNWDIGOII-UHFFFAOYSA-N
XLogP2.05
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.13
LogP ≤ 52.05
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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-azido-4-fluorobutane?
The IUPAC name of 1-azido-4-fluorobutane (CID 86656428) is 1-azido-4-fluorobutane.
What is the SMILES notation for 1-azido-4-fluorobutane?
The canonical SMILES for 1-azido-4-fluorobutane is [N-]=[N+]=NCCCCF.
What is the InChIKey of 1-azido-4-fluorobutane?
The InChIKey is QVZDOKNWDIGOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8FN3/c5-3-1-2-4-7-8-6/h1-4H2.
What are the key properties of 1-azido-4-fluorobutane?
1-azido-4-fluorobutane has a molecular weight of 117.13 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-4-fluorobutane is sourced from PubChem (CID 86656428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).