(1R)-1-azido-1-fluoro-2-methylpropane

C4H8FN3 — CID 166005091

IUPAC(1R)-1-azido-1-fluoro-2-methylpropane
SMILESCC(C)[C@@H](F)N=[N+]=[N-]
InChIInChI=1S/C4H8FN3/c1-3(2)4(5)7-8-6/h3-4H,1-2H3/t4-/m0/s1
InChIKeyCCZDWZUSRBYZCU-BYPYZUCNSA-N
MW117.13 g/mol
LogP2.25
Rot. Bonds2

About (1R)-1-azido-1-fluoro-2-methylpropane

(1R)-1-azido-1-fluoro-2-methylpropane (PubChem CID 166005091) has the molecular formula C4H8FN3 and a molecular weight of 117.13 g/mol. Its IUPAC name is (1R)-1-azido-1-fluoro-2-methylpropane.

Molecular Properties

Compound Name(1R)-1-azido-1-fluoro-2-methylpropane
PubChem CID166005091
Molecular FormulaC4H8FN3
Molecular Weight117.13 g/mol
Exact Mass117.07
IUPAC Name(1R)-1-azido-1-fluoro-2-methylpropane
SMILESCC(C)[C@@H](F)N=[N+]=[N-]
InChIInChI=1S/C4H8FN3/c1-3(2)4(5)7-8-6/h3-4H,1-2H3/t4-/m0/s1
InChIKeyCCZDWZUSRBYZCU-BYPYZUCNSA-N
XLogP2.25
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.13
LogP ≤ 52.25
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

Azido-isobutane
CID 12263225
Tert-butyl(1-fluoroethyl)diazene
CID 88914435
(2R)-1-azido-2-fluoro-3-methylbutane
CID 89243299
(2S)-1-azido-2-fluoro-3-methylbutane
CID 89243308
1-Azido-1-fluorobutane
CID 126573778
1-Azido-1-fluoro-2-methylpropane
CID 149879995
1-Azido-1-fluoro-2,2-dimethylpropane
CID 150014710
1-Azido-1-fluoro-2-methylbutane
CID 150304202
1,3-Difluoropropyl(methyl)diazene
CID 156193720
(1S)-1-azido-1-fluoro-2-methylpropane
CID 166005080
trans-Ethyl-i-butyl-diazene
CID 524240
trans-Methyl-i-butyl-diazene
CID 526061

Frequently Asked Questions

What is the IUPAC name of (1R)-1-azido-1-fluoro-2-methylpropane?
The IUPAC name of (1R)-1-azido-1-fluoro-2-methylpropane (CID 166005091) is (1R)-1-azido-1-fluoro-2-methylpropane.
What is the SMILES notation for (1R)-1-azido-1-fluoro-2-methylpropane?
The canonical SMILES for (1R)-1-azido-1-fluoro-2-methylpropane is CC(C)[C@@H](F)N=[N+]=[N-].
What is the InChIKey of (1R)-1-azido-1-fluoro-2-methylpropane?
The InChIKey is CCZDWZUSRBYZCU-BYPYZUCNSA-N. The full InChI is InChI=1S/C4H8FN3/c1-3(2)4(5)7-8-6/h3-4H,1-2H3/t4-/m0/s1.
What are the key properties of (1R)-1-azido-1-fluoro-2-methylpropane?
(1R)-1-azido-1-fluoro-2-methylpropane has a molecular weight of 117.13 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-azido-1-fluoro-2-methylpropane is sourced from PubChem (CID 166005091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).