1-(3,5-difluorophenyl)ethyldiazene

C8H8F2N2 — CID 91557138

IUPAC1-(3,5-difluorophenyl)ethyldiazene
SMILES[H]/N=N/C(C)c1cc(F)cc(F)c1
InChIInChI=1S/C8H8F2N2/c1-5(12-11)6-2-7(9)4-8(10)3-6/h2-5,11H,1H3/b12-11+
InChIKeyMLFSOJGMHCCFFF-VAWYXSNFSA-N
MW170.16 g/mol
LogP3.06
Rot. Bonds2

About 1-(3,5-difluorophenyl)ethyldiazene

1-(3,5-difluorophenyl)ethyldiazene (PubChem CID 91557138) has the molecular formula C8H8F2N2 and a molecular weight of 170.16 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)ethyldiazene.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)ethyldiazene
PubChem CID91557138
Molecular FormulaC8H8F2N2
Molecular Weight170.16 g/mol
Exact Mass170.07
IUPAC Name1-(3,5-difluorophenyl)ethyldiazene
SMILES[H]/N=N/C(C)c1cc(F)cc(F)c1
InChIInChI=1S/C8H8F2N2/c1-5(12-11)6-2-7(9)4-8(10)3-6/h2-5,11H,1H3/b12-11+
InChIKeyMLFSOJGMHCCFFF-VAWYXSNFSA-N
XLogP3.06
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)ethyldiazene?
The IUPAC name of 1-(3,5-difluorophenyl)ethyldiazene (CID 91557138) is 1-(3,5-difluorophenyl)ethyldiazene.
What is the SMILES notation for 1-(3,5-difluorophenyl)ethyldiazene?
The canonical SMILES for 1-(3,5-difluorophenyl)ethyldiazene is [H]/N=N/C(C)c1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)ethyldiazene?
The InChIKey is MLFSOJGMHCCFFF-VAWYXSNFSA-N. The full InChI is InChI=1S/C8H8F2N2/c1-5(12-11)6-2-7(9)4-8(10)3-6/h2-5,11H,1H3/b12-11+.
What are the key properties of 1-(3,5-difluorophenyl)ethyldiazene?
1-(3,5-difluorophenyl)ethyldiazene has a molecular weight of 170.16 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)ethyldiazene is sourced from PubChem (CID 91557138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).