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

C15H7Cl3F3N3 — CID 54055344

IUPAC2-(4-chlorophenyl)-2-[[2,6-dichloro-4-(trifluoromethyl)phenyl]diazenyl]acetonitrile
SMILESN#CC(/N=N/c1c(Cl)cc(C(F)(F)F)cc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C15H7Cl3F3N3/c16-10-3-1-8(2-4-10)13(7-22)23-24-14-11(17)5-9(6-12(14)18)15(19,20)21/h1-6,13H/b24-23+
InChIKeyLVVLZXMOMRXJNO-WCWDXBQESA-N
MW392.60 g/mol
LogP7.01
Rot. Bonds3

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

2-(4-chlorophenyl)-2-[[2,6-dichloro-4-(trifluoromethyl)phenyl]diazenyl]acetonitrile (PubChem CID 54055344) has the molecular formula C15H7Cl3F3N3 and a molecular weight of 392.60 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-[[2,6-dichloro-4-(trifluoromethyl)phenyl]diazenyl]acetonitrile.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-[[2,6-dichloro-4-(trifluoromethyl)phenyl]diazenyl]acetonitrile
PubChem CID54055344
Molecular FormulaC15H7Cl3F3N3
Molecular Weight392.60 g/mol
Exact Mass390.97
IUPAC Name2-(4-chlorophenyl)-2-[[2,6-dichloro-4-(trifluoromethyl)phenyl]diazenyl]acetonitrile
SMILESN#CC(/N=N/c1c(Cl)cc(C(F)(F)F)cc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C15H7Cl3F3N3/c16-10-3-1-8(2-4-10)13(7-22)23-24-14-11(17)5-9(6-12(14)18)15(19,20)21/h1-6,13H/b24-23+
InChIKeyLVVLZXMOMRXJNO-WCWDXBQESA-N
XLogP7.01
TPSA48.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.60
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-(4-chlorophenyl)-2-[[2,6-dichloro-4-(trifluoromethyl)phenyl]diazenyl]acetonitrile?
The IUPAC name of 2-(4-chlorophenyl)-2-[[2,6-dichloro-4-(trifluoromethyl)phenyl]diazenyl]acetonitrile (CID 54055344) is 2-(4-chlorophenyl)-2-[[2,6-dichloro-4-(trifluoromethyl)phenyl]diazenyl]acetonitrile.
What is the SMILES notation for 2-(4-chlorophenyl)-2-[[2,6-dichloro-4-(trifluoromethyl)phenyl]diazenyl]acetonitrile?
The canonical SMILES for 2-(4-chlorophenyl)-2-[[2,6-dichloro-4-(trifluoromethyl)phenyl]diazenyl]acetonitrile is N#CC(/N=N/c1c(Cl)cc(C(F)(F)F)cc1Cl)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-2-[[2,6-dichloro-4-(trifluoromethyl)phenyl]diazenyl]acetonitrile?
The InChIKey is LVVLZXMOMRXJNO-WCWDXBQESA-N. The full InChI is InChI=1S/C15H7Cl3F3N3/c16-10-3-1-8(2-4-10)13(7-22)23-24-14-11(17)5-9(6-12(14)18)15(19,20)21/h1-6,13H/b24-23+.
What are the key properties of 2-(4-chlorophenyl)-2-[[2,6-dichloro-4-(trifluoromethyl)phenyl]diazenyl]acetonitrile?
2-(4-chlorophenyl)-2-[[2,6-dichloro-4-(trifluoromethyl)phenyl]diazenyl]acetonitrile has a molecular weight of 392.60 g/mol, XLogP of 7.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-[[2,6-dichloro-4-(trifluoromethyl)phenyl]diazenyl]acetonitrile is sourced from PubChem (CID 54055344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).