2-[(Z)-3,3,3-trichloroprop-1-enyl]quinoxaline

C11H7Cl3N2 — CID 92532642

IUPAC2-[(Z)-3,3,3-trichloroprop-1-enyl]quinoxaline
SMILESClC(Cl)(Cl)/C=C\c1cnc2ccccc2n1
InChIInChI=1S/C11H7Cl3N2/c12-11(13,14)6-5-8-7-15-9-3-1-2-4-10(9)16-8/h1-7H/b6-5-
InChIKeyUPAOWTAFCNXMEO-WAYWQWQTSA-N
MW273.55 g/mol
LogP4.01
Rot. Bonds1

About 2-[(Z)-3,3,3-trichloroprop-1-enyl]quinoxaline

2-[(Z)-3,3,3-trichloroprop-1-enyl]quinoxaline (PubChem CID 92532642) has the molecular formula C11H7Cl3N2 and a molecular weight of 273.55 g/mol. Its IUPAC name is 2-[(Z)-3,3,3-trichloroprop-1-enyl]quinoxaline.

Molecular Properties

Compound Name2-[(Z)-3,3,3-trichloroprop-1-enyl]quinoxaline
PubChem CID92532642
Molecular FormulaC11H7Cl3N2
Molecular Weight273.55 g/mol
Exact Mass271.97
IUPAC Name2-[(Z)-3,3,3-trichloroprop-1-enyl]quinoxaline
SMILESClC(Cl)(Cl)/C=C\c1cnc2ccccc2n1
InChIInChI=1S/C11H7Cl3N2/c12-11(13,14)6-5-8-7-15-9-3-1-2-4-10(9)16-8/h1-7H/b6-5-
InChIKeyUPAOWTAFCNXMEO-WAYWQWQTSA-N
XLogP4.01
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.55
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-3,3,3-trichloroprop-1-enyl]quinoxaline?
The IUPAC name of 2-[(Z)-3,3,3-trichloroprop-1-enyl]quinoxaline (CID 92532642) is 2-[(Z)-3,3,3-trichloroprop-1-enyl]quinoxaline.
What is the SMILES notation for 2-[(Z)-3,3,3-trichloroprop-1-enyl]quinoxaline?
The canonical SMILES for 2-[(Z)-3,3,3-trichloroprop-1-enyl]quinoxaline is ClC(Cl)(Cl)/C=C\c1cnc2ccccc2n1.
What is the InChIKey of 2-[(Z)-3,3,3-trichloroprop-1-enyl]quinoxaline?
The InChIKey is UPAOWTAFCNXMEO-WAYWQWQTSA-N. The full InChI is InChI=1S/C11H7Cl3N2/c12-11(13,14)6-5-8-7-15-9-3-1-2-4-10(9)16-8/h1-7H/b6-5-.
What are the key properties of 2-[(Z)-3,3,3-trichloroprop-1-enyl]quinoxaline?
2-[(Z)-3,3,3-trichloroprop-1-enyl]quinoxaline has a molecular weight of 273.55 g/mol, XLogP of 4.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-3,3,3-trichloroprop-1-enyl]quinoxaline is sourced from PubChem (CID 92532642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).