1-azido-1-fluoro-2-methylbutane

C5H10FN3 — CID 150304202

IUPAC1-azido-1-fluoro-2-methylbutane
SMILESCCC(C)C(F)N=[N+]=[N-]
InChIInChI=1S/C5H10FN3/c1-3-4(2)5(6)8-9-7/h4-5H,3H2,1-2H3
InChIKeyGKGFJCNCFUYUFY-UHFFFAOYSA-N
MW131.15 g/mol
LogP2.64
Rot. Bonds3

About 1-azido-1-fluoro-2-methylbutane

1-azido-1-fluoro-2-methylbutane (PubChem CID 150304202) has the molecular formula C5H10FN3 and a molecular weight of 131.15 g/mol. Its IUPAC name is 1-azido-1-fluoro-2-methylbutane.

Molecular Properties

Compound Name1-azido-1-fluoro-2-methylbutane
PubChem CID150304202
Molecular FormulaC5H10FN3
Molecular Weight131.15 g/mol
Exact Mass131.09
IUPAC Name1-azido-1-fluoro-2-methylbutane
SMILESCCC(C)C(F)N=[N+]=[N-]
InChIInChI=1S/C5H10FN3/c1-3-4(2)5(6)8-9-7/h4-5H,3H2,1-2H3
InChIKeyGKGFJCNCFUYUFY-UHFFFAOYSA-N
XLogP2.64
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.15
LogP ≤ 52.64
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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Frequently Asked Questions

What is the IUPAC name of 1-azido-1-fluoro-2-methylbutane?
The IUPAC name of 1-azido-1-fluoro-2-methylbutane (CID 150304202) is 1-azido-1-fluoro-2-methylbutane.
What is the SMILES notation for 1-azido-1-fluoro-2-methylbutane?
The canonical SMILES for 1-azido-1-fluoro-2-methylbutane is CCC(C)C(F)N=[N+]=[N-].
What is the InChIKey of 1-azido-1-fluoro-2-methylbutane?
The InChIKey is GKGFJCNCFUYUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FN3/c1-3-4(2)5(6)8-9-7/h4-5H,3H2,1-2H3.
What are the key properties of 1-azido-1-fluoro-2-methylbutane?
1-azido-1-fluoro-2-methylbutane has a molecular weight of 131.15 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-1-fluoro-2-methylbutane is sourced from PubChem (CID 150304202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).