[4-chloro-3-(trifluoromethyl)phenyl]-(1,2,3,5,6,7-hexahydroindolizin-8-yl)diazene

C15H15ClF3N3 — CID 44578999

IUPAC[4-chloro-3-(trifluoromethyl)phenyl]-(1,2,3,5,6,7-hexahydroindolizin-8-yl)diazene
SMILESFC(F)(F)c1cc(/N=N/C2=C3CCCN3CCC2)ccc1Cl
InChIInChI=1S/C15H15ClF3N3/c16-12-6-5-10(9-11(12)15(17,18)19)20-21-13-3-1-7-22-8-2-4-14(13)22/h5-6,9H,1-4,7-8H2/b21-20+
InChIKeyUXGVEROISSGXOR-QZQOTICOSA-N
MW329.75 g/mol
LogP5.54
Rot. Bonds2

About [4-chloro-3-(trifluoromethyl)phenyl]-(1,2,3,5,6,7-hexahydroindolizin-8-yl)diazene

[4-chloro-3-(trifluoromethyl)phenyl]-(1,2,3,5,6,7-hexahydroindolizin-8-yl)diazene (PubChem CID 44578999) has the molecular formula C15H15ClF3N3 and a molecular weight of 329.75 g/mol. Its IUPAC name is [4-chloro-3-(trifluoromethyl)phenyl]-(1,2,3,5,6,7-hexahydroindolizin-8-yl)diazene.

Molecular Properties

Compound Name[4-chloro-3-(trifluoromethyl)phenyl]-(1,2,3,5,6,7-hexahydroindolizin-8-yl)diazene
PubChem CID44578999
Molecular FormulaC15H15ClF3N3
Molecular Weight329.75 g/mol
Exact Mass329.09
IUPAC Name[4-chloro-3-(trifluoromethyl)phenyl]-(1,2,3,5,6,7-hexahydroindolizin-8-yl)diazene
SMILESFC(F)(F)c1cc(/N=N/C2=C3CCCN3CCC2)ccc1Cl
InChIInChI=1S/C15H15ClF3N3/c16-12-6-5-10(9-11(12)15(17,18)19)20-21-13-3-1-7-22-8-2-4-14(13)22/h5-6,9H,1-4,7-8H2/b21-20+
InChIKeyUXGVEROISSGXOR-QZQOTICOSA-N
XLogP5.54
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.75
LogP ≤ 55.54
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 [4-chloro-3-(trifluoromethyl)phenyl]-(1,2,3,5,6,7-hexahydroindolizin-8-yl)diazene?
The IUPAC name of [4-chloro-3-(trifluoromethyl)phenyl]-(1,2,3,5,6,7-hexahydroindolizin-8-yl)diazene (CID 44578999) is [4-chloro-3-(trifluoromethyl)phenyl]-(1,2,3,5,6,7-hexahydroindolizin-8-yl)diazene.
What is the SMILES notation for [4-chloro-3-(trifluoromethyl)phenyl]-(1,2,3,5,6,7-hexahydroindolizin-8-yl)diazene?
The canonical SMILES for [4-chloro-3-(trifluoromethyl)phenyl]-(1,2,3,5,6,7-hexahydroindolizin-8-yl)diazene is FC(F)(F)c1cc(/N=N/C2=C3CCCN3CCC2)ccc1Cl.
What is the InChIKey of [4-chloro-3-(trifluoromethyl)phenyl]-(1,2,3,5,6,7-hexahydroindolizin-8-yl)diazene?
The InChIKey is UXGVEROISSGXOR-QZQOTICOSA-N. The full InChI is InChI=1S/C15H15ClF3N3/c16-12-6-5-10(9-11(12)15(17,18)19)20-21-13-3-1-7-22-8-2-4-14(13)22/h5-6,9H,1-4,7-8H2/b21-20+.
What are the key properties of [4-chloro-3-(trifluoromethyl)phenyl]-(1,2,3,5,6,7-hexahydroindolizin-8-yl)diazene?
[4-chloro-3-(trifluoromethyl)phenyl]-(1,2,3,5,6,7-hexahydroindolizin-8-yl)diazene has a molecular weight of 329.75 g/mol, XLogP of 5.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-3-(trifluoromethyl)phenyl]-(1,2,3,5,6,7-hexahydroindolizin-8-yl)diazene is sourced from PubChem (CID 44578999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).