tert-butyl(2-fluorohexan-2-yl)diazene

C10H21FN2 — CID 12070537

IUPACtert-butyl(2-fluorohexan-2-yl)diazene
SMILESCCCCC(C)(F)/N=N/C(C)(C)C
InChIInChI=1S/C10H21FN2/c1-6-7-8-10(5,11)13-12-9(2,3)4/h6-8H2,1-5H3/b13-12+
InChIKeyJAXQHYRJEGECBF-OUKQBFOZSA-N
MW188.29 g/mol
LogP4.11
Rot. Bonds4

About tert-butyl(2-fluorohexan-2-yl)diazene

tert-butyl(2-fluorohexan-2-yl)diazene (PubChem CID 12070537) has the molecular formula C10H21FN2 and a molecular weight of 188.29 g/mol. Its IUPAC name is tert-butyl(2-fluorohexan-2-yl)diazene.

Molecular Properties

Compound Nametert-butyl(2-fluorohexan-2-yl)diazene
PubChem CID12070537
Molecular FormulaC10H21FN2
Molecular Weight188.29 g/mol
Exact Mass188.17
IUPAC Nametert-butyl(2-fluorohexan-2-yl)diazene
SMILESCCCCC(C)(F)/N=N/C(C)(C)C
InChIInChI=1S/C10H21FN2/c1-6-7-8-10(5,11)13-12-9(2,3)4/h6-8H2,1-5H3/b13-12+
InChIKeyJAXQHYRJEGECBF-OUKQBFOZSA-N
XLogP4.11
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 54.11
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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Related Compounds

ethane;2-fluoro-2-methylhexane
CID 142890341
6-butyl-6-fluoroundecane
CID 11424735
5,5-difluorononane
CID 21410163
iron(3+);1,1,1-trifluoropentane
CID 161198772
2,2-dimethylhexane
CID 169424592
1,1,1,2,2,3,3-heptafluoro-4-methyloctan-4-ol
CID 154267693
3-methyl-3-(trifluoromethyl)heptane
CID 142541633
2-(tert-butyldiazenyl)pentan-2-ol
CID 21412753
azane;2,2-dimethylhexane
CID 161105081
1-(1,1-difluoropentoxy)-1,1-difluoropentane
CID 121434513
ethane;1,1,1,2,2-pentafluorohexane
CID 167481670
1,1,1-trifluoro-2,3,3-trimethylheptane
CID 126723403

Frequently Asked Questions

What is the IUPAC name of tert-butyl(2-fluorohexan-2-yl)diazene?
The IUPAC name of tert-butyl(2-fluorohexan-2-yl)diazene (CID 12070537) is tert-butyl(2-fluorohexan-2-yl)diazene.
What is the SMILES notation for tert-butyl(2-fluorohexan-2-yl)diazene?
The canonical SMILES for tert-butyl(2-fluorohexan-2-yl)diazene is CCCCC(C)(F)/N=N/C(C)(C)C.
What is the InChIKey of tert-butyl(2-fluorohexan-2-yl)diazene?
The InChIKey is JAXQHYRJEGECBF-OUKQBFOZSA-N. The full InChI is InChI=1S/C10H21FN2/c1-6-7-8-10(5,11)13-12-9(2,3)4/h6-8H2,1-5H3/b13-12+.
What are the key properties of tert-butyl(2-fluorohexan-2-yl)diazene?
tert-butyl(2-fluorohexan-2-yl)diazene has a molecular weight of 188.29 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl(2-fluorohexan-2-yl)diazene is sourced from PubChem (CID 12070537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).