1-azido-4-fluoro-2,2-dimethylbutane

C6H12FN3 — CID 129034286

IUPAC1-azido-4-fluoro-2,2-dimethylbutane
SMILESCC(C)(CCF)CN=[N+]=[N-]
InChIInChI=1S/C6H12FN3/c1-6(2,3-4-7)5-9-10-8/h3-5H2,1-2H3
InChIKeyISHOYLOJQTWQIE-UHFFFAOYSA-N
MW145.18 g/mol
LogP2.68
Rot. Bonds4

About 1-azido-4-fluoro-2,2-dimethylbutane

1-azido-4-fluoro-2,2-dimethylbutane (PubChem CID 129034286) has the molecular formula C6H12FN3 and a molecular weight of 145.18 g/mol. Its IUPAC name is 1-azido-4-fluoro-2,2-dimethylbutane.

Molecular Properties

Compound Name1-azido-4-fluoro-2,2-dimethylbutane
PubChem CID129034286
Molecular FormulaC6H12FN3
Molecular Weight145.18 g/mol
Exact Mass145.10
IUPAC Name1-azido-4-fluoro-2,2-dimethylbutane
SMILESCC(C)(CCF)CN=[N+]=[N-]
InChIInChI=1S/C6H12FN3/c1-6(2,3-4-7)5-9-10-8/h3-5H2,1-2H3
InChIKeyISHOYLOJQTWQIE-UHFFFAOYSA-N
XLogP2.68
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 52.68
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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-azido-2-fluoro-3-methylbutane
CID 89243299
(2S)-1-azido-2-fluoro-3-methylbutane
CID 89243308
1-Azido-1-fluoro-2,2-dimethylpropane
CID 150014710
1-Azido-1-fluoro-2-methylbutane
CID 150304202
1-Azido-3-fluoro-3-methylbutane
CID 129985482
1-Azido-2-fluoro-3-methylbutane
CID 130680185
1-Azido-3,3-dimethylbutane
CID 13088374
5,5-dimethyl-4,6-dihydro-3H-pyridazine
CID 85978873
3,3-Dimethylbutyl(methyl)diazene
CID 88315759
1-Azido-2,2-dimethylbutane
CID 89507847
1-Azido-3,3-dimethylbutane;methane
CID 159277976

Frequently Asked Questions

What is the IUPAC name of 1-azido-4-fluoro-2,2-dimethylbutane?
The IUPAC name of 1-azido-4-fluoro-2,2-dimethylbutane (CID 129034286) is 1-azido-4-fluoro-2,2-dimethylbutane.
What is the SMILES notation for 1-azido-4-fluoro-2,2-dimethylbutane?
The canonical SMILES for 1-azido-4-fluoro-2,2-dimethylbutane is CC(C)(CCF)CN=[N+]=[N-].
What is the InChIKey of 1-azido-4-fluoro-2,2-dimethylbutane?
The InChIKey is ISHOYLOJQTWQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FN3/c1-6(2,3-4-7)5-9-10-8/h3-5H2,1-2H3.
What are the key properties of 1-azido-4-fluoro-2,2-dimethylbutane?
1-azido-4-fluoro-2,2-dimethylbutane has a molecular weight of 145.18 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-4-fluoro-2,2-dimethylbutane is sourced from PubChem (CID 129034286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).