1-(5-chlorothiophen-2-yl)ethyl-(4-fluorophenyl)diazene

C12H10ClFN2S — CID 91898139

IUPAC1-(5-chlorothiophen-2-yl)ethyl-(4-fluorophenyl)diazene
SMILESCC(/N=N/c1ccc(F)cc1)c1ccc(Cl)s1
InChIInChI=1S/C12H10ClFN2S/c1-8(11-6-7-12(13)17-11)15-16-10-4-2-9(14)3-5-10/h2-8H,1H3/b16-15+
InChIKeyWBCXPYXKDDHNRP-FOCLMDBBSA-N
MW268.74 g/mol
LogP5.39
Rot. Bonds3

About 1-(5-chlorothiophen-2-yl)ethyl-(4-fluorophenyl)diazene

1-(5-chlorothiophen-2-yl)ethyl-(4-fluorophenyl)diazene (PubChem CID 91898139) has the molecular formula C12H10ClFN2S and a molecular weight of 268.74 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)ethyl-(4-fluorophenyl)diazene.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)ethyl-(4-fluorophenyl)diazene
PubChem CID91898139
Molecular FormulaC12H10ClFN2S
Molecular Weight268.74 g/mol
Exact Mass268.02
IUPAC Name1-(5-chlorothiophen-2-yl)ethyl-(4-fluorophenyl)diazene
SMILESCC(/N=N/c1ccc(F)cc1)c1ccc(Cl)s1
InChIInChI=1S/C12H10ClFN2S/c1-8(11-6-7-12(13)17-11)15-16-10-4-2-9(14)3-5-10/h2-8H,1H3/b16-15+
InChIKeyWBCXPYXKDDHNRP-FOCLMDBBSA-N
XLogP5.39
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.74
LogP ≤ 55.39
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 1-(5-chlorothiophen-2-yl)ethyl-(4-fluorophenyl)diazene?
The IUPAC name of 1-(5-chlorothiophen-2-yl)ethyl-(4-fluorophenyl)diazene (CID 91898139) is 1-(5-chlorothiophen-2-yl)ethyl-(4-fluorophenyl)diazene.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)ethyl-(4-fluorophenyl)diazene?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)ethyl-(4-fluorophenyl)diazene is CC(/N=N/c1ccc(F)cc1)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)ethyl-(4-fluorophenyl)diazene?
The InChIKey is WBCXPYXKDDHNRP-FOCLMDBBSA-N. The full InChI is InChI=1S/C12H10ClFN2S/c1-8(11-6-7-12(13)17-11)15-16-10-4-2-9(14)3-5-10/h2-8H,1H3/b16-15+.
What are the key properties of 1-(5-chlorothiophen-2-yl)ethyl-(4-fluorophenyl)diazene?
1-(5-chlorothiophen-2-yl)ethyl-(4-fluorophenyl)diazene has a molecular weight of 268.74 g/mol, XLogP of 5.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)ethyl-(4-fluorophenyl)diazene is sourced from PubChem (CID 91898139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).