tert-butyl(1-fluoroethyl)diazene

C6H13FN2 — CID 88914435

IUPACtert-butyl(1-fluoroethyl)diazene
SMILESCC(F)/N=N/C(C)(C)C
InChIInChI=1S/C6H13FN2/c1-5(7)8-9-6(2,3)4/h5H,1-4H3/b9-8+
InChIKeyHGHKKZDZRVNKNN-CMDGGOBGSA-N
MW132.18 g/mol
LogP2.55
Rot. Bonds1

About tert-butyl(1-fluoroethyl)diazene

tert-butyl(1-fluoroethyl)diazene (PubChem CID 88914435) has the molecular formula C6H13FN2 and a molecular weight of 132.18 g/mol. Its IUPAC name is tert-butyl(1-fluoroethyl)diazene.

Molecular Properties

Compound Nametert-butyl(1-fluoroethyl)diazene
PubChem CID88914435
Molecular FormulaC6H13FN2
Molecular Weight132.18 g/mol
Exact Mass132.11
IUPAC Nametert-butyl(1-fluoroethyl)diazene
SMILESCC(F)/N=N/C(C)(C)C
InChIInChI=1S/C6H13FN2/c1-5(7)8-9-6(2,3)4/h5H,1-4H3/b9-8+
InChIKeyHGHKKZDZRVNKNN-CMDGGOBGSA-N
XLogP2.55
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl(1-fluoroethyl)diazene?
The IUPAC name of tert-butyl(1-fluoroethyl)diazene (CID 88914435) is tert-butyl(1-fluoroethyl)diazene.
What is the SMILES notation for tert-butyl(1-fluoroethyl)diazene?
The canonical SMILES for tert-butyl(1-fluoroethyl)diazene is CC(F)/N=N/C(C)(C)C.
What is the InChIKey of tert-butyl(1-fluoroethyl)diazene?
The InChIKey is HGHKKZDZRVNKNN-CMDGGOBGSA-N. The full InChI is InChI=1S/C6H13FN2/c1-5(7)8-9-6(2,3)4/h5H,1-4H3/b9-8+.
What are the key properties of tert-butyl(1-fluoroethyl)diazene?
tert-butyl(1-fluoroethyl)diazene has a molecular weight of 132.18 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl(1-fluoroethyl)diazene is sourced from PubChem (CID 88914435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).