(3-chloro-2-fluorophenyl)methyl-(4-fluorophenyl)diazene

C13H9ClF2N2 — CID 57089658

IUPAC(3-chloro-2-fluorophenyl)methyl-(4-fluorophenyl)diazene
SMILESFc1ccc(/N=N/Cc2cccc(Cl)c2F)cc1
InChIInChI=1S/C13H9ClF2N2/c14-12-3-1-2-9(13(12)16)8-17-18-11-6-4-10(15)5-7-11/h1-7H,8H2/b18-17+
InChIKeyRFZIMNXIBRRKOV-ISLYRVAYSA-N
MW266.68 g/mol
LogP4.90
Rot. Bonds3

About (3-chloro-2-fluorophenyl)methyl-(4-fluorophenyl)diazene

(3-chloro-2-fluorophenyl)methyl-(4-fluorophenyl)diazene (PubChem CID 57089658) has the molecular formula C13H9ClF2N2 and a molecular weight of 266.68 g/mol. Its IUPAC name is (3-chloro-2-fluorophenyl)methyl-(4-fluorophenyl)diazene.

Molecular Properties

Compound Name(3-chloro-2-fluorophenyl)methyl-(4-fluorophenyl)diazene
PubChem CID57089658
Molecular FormulaC13H9ClF2N2
Molecular Weight266.68 g/mol
Exact Mass266.04
IUPAC Name(3-chloro-2-fluorophenyl)methyl-(4-fluorophenyl)diazene
SMILESFc1ccc(/N=N/Cc2cccc(Cl)c2F)cc1
InChIInChI=1S/C13H9ClF2N2/c14-12-3-1-2-9(13(12)16)8-17-18-11-6-4-10(15)5-7-11/h1-7H,8H2/b18-17+
InChIKeyRFZIMNXIBRRKOV-ISLYRVAYSA-N
XLogP4.90
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.68
LogP ≤ 54.90
H-Bond Donors ≤ 50
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 (3-chloro-2-fluorophenyl)methyl-(4-fluorophenyl)diazene?
The IUPAC name of (3-chloro-2-fluorophenyl)methyl-(4-fluorophenyl)diazene (CID 57089658) is (3-chloro-2-fluorophenyl)methyl-(4-fluorophenyl)diazene.
What is the SMILES notation for (3-chloro-2-fluorophenyl)methyl-(4-fluorophenyl)diazene?
The canonical SMILES for (3-chloro-2-fluorophenyl)methyl-(4-fluorophenyl)diazene is Fc1ccc(/N=N/Cc2cccc(Cl)c2F)cc1.
What is the InChIKey of (3-chloro-2-fluorophenyl)methyl-(4-fluorophenyl)diazene?
The InChIKey is RFZIMNXIBRRKOV-ISLYRVAYSA-N. The full InChI is InChI=1S/C13H9ClF2N2/c14-12-3-1-2-9(13(12)16)8-17-18-11-6-4-10(15)5-7-11/h1-7H,8H2/b18-17+.
What are the key properties of (3-chloro-2-fluorophenyl)methyl-(4-fluorophenyl)diazene?
(3-chloro-2-fluorophenyl)methyl-(4-fluorophenyl)diazene has a molecular weight of 266.68 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-fluorophenyl)methyl-(4-fluorophenyl)diazene is sourced from PubChem (CID 57089658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).