[chloro-(2-fluorophenyl)methyl]-[4-(trifluoromethyl)phenyl]diazene

C14H9ClF4N2 — CID 57022613

IUPAC[chloro-(2-fluorophenyl)methyl]-[4-(trifluoromethyl)phenyl]diazene
SMILESFc1ccccc1C(Cl)/N=N/c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H9ClF4N2/c15-13(11-3-1-2-4-12(11)16)21-20-10-7-5-9(6-8-10)14(17,18)19/h1-8,13H/b21-20+
InChIKeyMWOFPIJSDQDOEM-QZQOTICOSA-N
MW316.69 g/mol
LogP5.87
Rot. Bonds3

About [chloro-(2-fluorophenyl)methyl]-[4-(trifluoromethyl)phenyl]diazene

[chloro-(2-fluorophenyl)methyl]-[4-(trifluoromethyl)phenyl]diazene (PubChem CID 57022613) has the molecular formula C14H9ClF4N2 and a molecular weight of 316.69 g/mol. Its IUPAC name is [chloro-(2-fluorophenyl)methyl]-[4-(trifluoromethyl)phenyl]diazene.

Molecular Properties

Compound Name[chloro-(2-fluorophenyl)methyl]-[4-(trifluoromethyl)phenyl]diazene
PubChem CID57022613
Molecular FormulaC14H9ClF4N2
Molecular Weight316.69 g/mol
Exact Mass316.04
IUPAC Name[chloro-(2-fluorophenyl)methyl]-[4-(trifluoromethyl)phenyl]diazene
SMILESFc1ccccc1C(Cl)/N=N/c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H9ClF4N2/c15-13(11-3-1-2-4-12(11)16)21-20-10-7-5-9(6-8-10)14(17,18)19/h1-8,13H/b21-20+
InChIKeyMWOFPIJSDQDOEM-QZQOTICOSA-N
XLogP5.87
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.69
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [chloro-(2-fluorophenyl)methyl]-[4-(trifluoromethyl)phenyl]diazene?
The IUPAC name of [chloro-(2-fluorophenyl)methyl]-[4-(trifluoromethyl)phenyl]diazene (CID 57022613) is [chloro-(2-fluorophenyl)methyl]-[4-(trifluoromethyl)phenyl]diazene.
What is the SMILES notation for [chloro-(2-fluorophenyl)methyl]-[4-(trifluoromethyl)phenyl]diazene?
The canonical SMILES for [chloro-(2-fluorophenyl)methyl]-[4-(trifluoromethyl)phenyl]diazene is Fc1ccccc1C(Cl)/N=N/c1ccc(C(F)(F)F)cc1.
What is the InChIKey of [chloro-(2-fluorophenyl)methyl]-[4-(trifluoromethyl)phenyl]diazene?
The InChIKey is MWOFPIJSDQDOEM-QZQOTICOSA-N. The full InChI is InChI=1S/C14H9ClF4N2/c15-13(11-3-1-2-4-12(11)16)21-20-10-7-5-9(6-8-10)14(17,18)19/h1-8,13H/b21-20+.
What are the key properties of [chloro-(2-fluorophenyl)methyl]-[4-(trifluoromethyl)phenyl]diazene?
[chloro-(2-fluorophenyl)methyl]-[4-(trifluoromethyl)phenyl]diazene has a molecular weight of 316.69 g/mol, XLogP of 5.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [chloro-(2-fluorophenyl)methyl]-[4-(trifluoromethyl)phenyl]diazene is sourced from PubChem (CID 57022613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).