2-[[2,6-dichloro-4-(trifluoromethyl)phenyl]diazenyl]acetonitrile

C9H4Cl2F3N3 — CID 126508059

IUPAC2-[[2,6-dichloro-4-(trifluoromethyl)phenyl]diazenyl]acetonitrile
SMILESN#CC/N=N/c1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C9H4Cl2F3N3/c10-6-3-5(9(12,13)14)4-7(11)8(6)17-16-2-1-15/h3-4H,2H2/b17-16+
InChIKeyRHHLGMOHZBYOBQ-WUKNDPDISA-N
MW282.05 g/mol
LogP4.62
Rot. Bonds2

About 2-[[2,6-dichloro-4-(trifluoromethyl)phenyl]diazenyl]acetonitrile

2-[[2,6-dichloro-4-(trifluoromethyl)phenyl]diazenyl]acetonitrile (PubChem CID 126508059) has the molecular formula C9H4Cl2F3N3 and a molecular weight of 282.05 g/mol. Its IUPAC name is 2-[[2,6-dichloro-4-(trifluoromethyl)phenyl]diazenyl]acetonitrile.

Molecular Properties

Compound Name2-[[2,6-dichloro-4-(trifluoromethyl)phenyl]diazenyl]acetonitrile
PubChem CID126508059
Molecular FormulaC9H4Cl2F3N3
Molecular Weight282.05 g/mol
Exact Mass280.97
IUPAC Name2-[[2,6-dichloro-4-(trifluoromethyl)phenyl]diazenyl]acetonitrile
SMILESN#CC/N=N/c1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C9H4Cl2F3N3/c10-6-3-5(9(12,13)14)4-7(11)8(6)17-16-2-1-15/h3-4H,2H2/b17-16+
InChIKeyRHHLGMOHZBYOBQ-WUKNDPDISA-N
XLogP4.62
TPSA48.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.05
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Amino-3,5-dichlorobenzonitrile
CID 522706
4-Amino-3,5-dichlorobenzotrifluoride
CID 141094
[2,6-Dichloro-4-(trifluoromethyl)phenyl]hydrazine
CID 688223
2,6-Dichloro-4-(perfluoropropan-2-yl)aniline
CID 10019496
2-Azido-1,3-dichloro-5-(trifluoromethyl)benzene
CID 19778409
2,6-Dichloro-4-(trifluoromethyl)phenyl Isothiocyanate
CID 135019947
3-(2,6-Dichloro-4-trifluoromethylphenylhydrazino)propionitrile
CID 11087805
Bis[2-chloro-4-(trifluoromethyl)phenyl]diazene
CID 11372606
Bis[2,6-dichloro-4-(trifluoromethyl)phenyl]diazene
CID 11396913
(2,6-Dichloro-4-(trifluoromethyl)phenyl)hydrazine hydrochloride
CID 13121994
2-[[2-[2,6-Dichloro-4-(trifluoromethyl)phenyl]hydrazinyl]methylidene]propanedinitrile
CID 13121995
[2,6-Dichloro-4-(difluoromethyl)phenyl]hydrazine
CID 14421505

Frequently Asked Questions

What is the IUPAC name of 2-[[2,6-dichloro-4-(trifluoromethyl)phenyl]diazenyl]acetonitrile?
The IUPAC name of 2-[[2,6-dichloro-4-(trifluoromethyl)phenyl]diazenyl]acetonitrile (CID 126508059) is 2-[[2,6-dichloro-4-(trifluoromethyl)phenyl]diazenyl]acetonitrile.
What is the SMILES notation for 2-[[2,6-dichloro-4-(trifluoromethyl)phenyl]diazenyl]acetonitrile?
The canonical SMILES for 2-[[2,6-dichloro-4-(trifluoromethyl)phenyl]diazenyl]acetonitrile is N#CC/N=N/c1c(Cl)cc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-[[2,6-dichloro-4-(trifluoromethyl)phenyl]diazenyl]acetonitrile?
The InChIKey is RHHLGMOHZBYOBQ-WUKNDPDISA-N. The full InChI is InChI=1S/C9H4Cl2F3N3/c10-6-3-5(9(12,13)14)4-7(11)8(6)17-16-2-1-15/h3-4H,2H2/b17-16+.
What are the key properties of 2-[[2,6-dichloro-4-(trifluoromethyl)phenyl]diazenyl]acetonitrile?
2-[[2,6-dichloro-4-(trifluoromethyl)phenyl]diazenyl]acetonitrile has a molecular weight of 282.05 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,6-dichloro-4-(trifluoromethyl)phenyl]diazenyl]acetonitrile is sourced from PubChem (CID 126508059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).