1-azido-1-fluorobutane

C4H8FN3 — CID 126573778

IUPAC1-azido-1-fluorobutane
SMILESCCCC(F)N=[N+]=[N-]
InChIInChI=1S/C4H8FN3/c1-2-3-4(5)7-8-6/h4H,2-3H2,1H3
InChIKeyCESUPBPXRPDXTE-UHFFFAOYSA-N
MW117.13 g/mol
LogP2.39
Rot. Bonds3

About 1-azido-1-fluorobutane

1-azido-1-fluorobutane (PubChem CID 126573778) has the molecular formula C4H8FN3 and a molecular weight of 117.13 g/mol. Its IUPAC name is 1-azido-1-fluorobutane.

Molecular Properties

Compound Name1-azido-1-fluorobutane
PubChem CID126573778
Molecular FormulaC4H8FN3
Molecular Weight117.13 g/mol
Exact Mass117.07
IUPAC Name1-azido-1-fluorobutane
SMILESCCCC(F)N=[N+]=[N-]
InChIInChI=1S/C4H8FN3/c1-2-3-4(5)7-8-6/h4H,2-3H2,1H3
InChIKeyCESUPBPXRPDXTE-UHFFFAOYSA-N
XLogP2.39
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.13
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

Butane, 1-azido-
CID 4563922
Dipropyldiazene
CID 136647
Butylmethyldiazene
CID 138230
trans-Ethyl-butyl-diazene
CID 526058
trans-Ethyl-propyl-diazene
CID 526059
2-Fluoropropan-2-yl(methyl)diazene
CID 59098510
1-Azido-4-fluorobutane
CID 86656428
(2R)-1-azido-2-fluoro-3-methylbutane
CID 89243299
(2S)-1-azido-2-fluoro-3-methylbutane
CID 89243308
1-(Aminodiazenyl)-2-fluorobutane
CID 117633942
1-Azido-1-fluoropropane
CID 126573783
(4S)-1-azido-4-fluoropentane
CID 134547070

Frequently Asked Questions

What is the IUPAC name of 1-azido-1-fluorobutane?
The IUPAC name of 1-azido-1-fluorobutane (CID 126573778) is 1-azido-1-fluorobutane.
What is the SMILES notation for 1-azido-1-fluorobutane?
The canonical SMILES for 1-azido-1-fluorobutane is CCCC(F)N=[N+]=[N-].
What is the InChIKey of 1-azido-1-fluorobutane?
The InChIKey is CESUPBPXRPDXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8FN3/c1-2-3-4(5)7-8-6/h4H,2-3H2,1H3.
What are the key properties of 1-azido-1-fluorobutane?
1-azido-1-fluorobutane has a molecular weight of 117.13 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-1-fluorobutane is sourced from PubChem (CID 126573778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).