2-fluoropropan-2-yl(methyl)diazene

C4H9FN2 — CID 59098510

IUPAC2-fluoropropan-2-yl(methyl)diazene
SMILESC/N=N/C(C)(C)F
InChIInChI=1S/C4H9FN2/c1-4(2,5)7-6-3/h1-3H3/b7-6+
InChIKeyMFEBGUHOKSAXJL-VOTSOKGWSA-N
MW104.13 g/mol
LogP1.77
Rot. Bonds1

About 2-fluoropropan-2-yl(methyl)diazene

2-fluoropropan-2-yl(methyl)diazene (PubChem CID 59098510) has the molecular formula C4H9FN2 and a molecular weight of 104.13 g/mol. Its IUPAC name is 2-fluoropropan-2-yl(methyl)diazene.

Molecular Properties

Compound Name2-fluoropropan-2-yl(methyl)diazene
PubChem CID59098510
Molecular FormulaC4H9FN2
Molecular Weight104.13 g/mol
Exact Mass104.07
IUPAC Name2-fluoropropan-2-yl(methyl)diazene
SMILESC/N=N/C(C)(C)F
InChIInChI=1S/C4H9FN2/c1-4(2,5)7-6-3/h1-3H3/b7-6+
InChIKeyMFEBGUHOKSAXJL-VOTSOKGWSA-N
XLogP1.77
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.13
LogP ≤ 51.77
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 2-fluoropropan-2-yl(methyl)diazene?
The IUPAC name of 2-fluoropropan-2-yl(methyl)diazene (CID 59098510) is 2-fluoropropan-2-yl(methyl)diazene.
What is the SMILES notation for 2-fluoropropan-2-yl(methyl)diazene?
The canonical SMILES for 2-fluoropropan-2-yl(methyl)diazene is C/N=N/C(C)(C)F.
What is the InChIKey of 2-fluoropropan-2-yl(methyl)diazene?
The InChIKey is MFEBGUHOKSAXJL-VOTSOKGWSA-N. The full InChI is InChI=1S/C4H9FN2/c1-4(2,5)7-6-3/h1-3H3/b7-6+.
What are the key properties of 2-fluoropropan-2-yl(methyl)diazene?
2-fluoropropan-2-yl(methyl)diazene has a molecular weight of 104.13 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoropropan-2-yl(methyl)diazene is sourced from PubChem (CID 59098510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).