1-azido-1-fluoro-2,2-dimethylpropane

C5H10FN3 — CID 150014710

IUPAC1-azido-1-fluoro-2,2-dimethylpropane
SMILESCC(C)(C)C(F)N=[N+]=[N-]
InChIInChI=1S/C5H10FN3/c1-5(2,3)4(6)8-9-7/h4H,1-3H3
InChIKeyDEAACABKQKREME-UHFFFAOYSA-N
MW131.15 g/mol
LogP2.64
Rot. Bonds1

About 1-azido-1-fluoro-2,2-dimethylpropane

1-azido-1-fluoro-2,2-dimethylpropane (PubChem CID 150014710) has the molecular formula C5H10FN3 and a molecular weight of 131.15 g/mol. Its IUPAC name is 1-azido-1-fluoro-2,2-dimethylpropane.

Molecular Properties

Compound Name1-azido-1-fluoro-2,2-dimethylpropane
PubChem CID150014710
Molecular FormulaC5H10FN3
Molecular Weight131.15 g/mol
Exact Mass131.09
IUPAC Name1-azido-1-fluoro-2,2-dimethylpropane
SMILESCC(C)(C)C(F)N=[N+]=[N-]
InChIInChI=1S/C5H10FN3/c1-5(2,3)4(6)8-9-7/h4H,1-3H3
InChIKeyDEAACABKQKREME-UHFFFAOYSA-N
XLogP2.64
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
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-2,2-dimethylpropane?
The IUPAC name of 1-azido-1-fluoro-2,2-dimethylpropane (CID 150014710) is 1-azido-1-fluoro-2,2-dimethylpropane.
What is the SMILES notation for 1-azido-1-fluoro-2,2-dimethylpropane?
The canonical SMILES for 1-azido-1-fluoro-2,2-dimethylpropane is CC(C)(C)C(F)N=[N+]=[N-].
What is the InChIKey of 1-azido-1-fluoro-2,2-dimethylpropane?
The InChIKey is DEAACABKQKREME-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FN3/c1-5(2,3)4(6)8-9-7/h4H,1-3H3.
What are the key properties of 1-azido-1-fluoro-2,2-dimethylpropane?
1-azido-1-fluoro-2,2-dimethylpropane has a molecular weight of 131.15 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-1-fluoro-2,2-dimethylpropane is sourced from PubChem (CID 150014710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).