2-diazenyl-2-(2,6-difluorophenyl)acetaldehyde

C8H6F2N2O — CID 91586017

IUPAC2-diazenyl-2-(2,6-difluorophenyl)acetaldehyde
SMILES[H]/N=N/C(C=O)c1c(F)cccc1F
InChIInChI=1S/C8H6F2N2O/c9-5-2-1-3-6(10)8(5)7(4-13)12-11/h1-4,7,11H/b12-11+
InChIKeyJDZQMRUFGFKQEJ-VAWYXSNFSA-N
MW184.15 g/mol
LogP2.24
Rot. Bonds3

About 2-diazenyl-2-(2,6-difluorophenyl)acetaldehyde

2-diazenyl-2-(2,6-difluorophenyl)acetaldehyde (PubChem CID 91586017) has the molecular formula C8H6F2N2O and a molecular weight of 184.15 g/mol. Its IUPAC name is 2-diazenyl-2-(2,6-difluorophenyl)acetaldehyde.

Molecular Properties

Compound Name2-diazenyl-2-(2,6-difluorophenyl)acetaldehyde
PubChem CID91586017
Molecular FormulaC8H6F2N2O
Molecular Weight184.15 g/mol
Exact Mass184.04
IUPAC Name2-diazenyl-2-(2,6-difluorophenyl)acetaldehyde
SMILES[H]/N=N/C(C=O)c1c(F)cccc1F
InChIInChI=1S/C8H6F2N2O/c9-5-2-1-3-6(10)8(5)7(4-13)12-11/h1-4,7,11H/b12-11+
InChIKeyJDZQMRUFGFKQEJ-VAWYXSNFSA-N
XLogP2.24
TPSA53.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-3,3-difluoro-3-phenylpropanal
CID 91389938
alpha-Aminobenzeneacetaldehyde
CID 18948289
(2S)-2-amino-3-(3-fluorophenyl)propanal
CID 18340915
2-Amino-3-(4-fluorophenyl)propanal
CID 18402048
(2S)-2-amino-3-(2-fluorophenyl)propanal
CID 18637096
(2S)-2-amino-3-(4-fluorophenyl)propanal
CID 18637098
2-Amino-2-(2,4-difluorophenyl)acetamide
CID 19365521
2-Amino-2-(4-fluorophenyl)acetaldehyde
CID 20381279
2-Amino-2-(3-fluorophenyl)acetaldehyde
CID 20381330
1-Amino-1-(3,4-difluorophenyl)acetone
CID 20722986
2-Amino-4-(4-fluorophenyl)butanal
CID 21195678
2-Azido-2-(3-fluorophenyl)acetyl chloride
CID 21558995

Frequently Asked Questions

What is the IUPAC name of 2-diazenyl-2-(2,6-difluorophenyl)acetaldehyde?
The IUPAC name of 2-diazenyl-2-(2,6-difluorophenyl)acetaldehyde (CID 91586017) is 2-diazenyl-2-(2,6-difluorophenyl)acetaldehyde.
What is the SMILES notation for 2-diazenyl-2-(2,6-difluorophenyl)acetaldehyde?
The canonical SMILES for 2-diazenyl-2-(2,6-difluorophenyl)acetaldehyde is [H]/N=N/C(C=O)c1c(F)cccc1F.
What is the InChIKey of 2-diazenyl-2-(2,6-difluorophenyl)acetaldehyde?
The InChIKey is JDZQMRUFGFKQEJ-VAWYXSNFSA-N. The full InChI is InChI=1S/C8H6F2N2O/c9-5-2-1-3-6(10)8(5)7(4-13)12-11/h1-4,7,11H/b12-11+.
What are the key properties of 2-diazenyl-2-(2,6-difluorophenyl)acetaldehyde?
2-diazenyl-2-(2,6-difluorophenyl)acetaldehyde has a molecular weight of 184.15 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diazenyl-2-(2,6-difluorophenyl)acetaldehyde is sourced from PubChem (CID 91586017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).