(1Z)-1,2,3-trichlorobuta-1,3-diene

C4H3Cl3 — CID 6433283

IUPAC(1Z)-1,2,3-trichlorobuta-1,3-diene
SMILESC=C(Cl)/C(Cl)=C/Cl
InChIInChI=1S/C4H3Cl3/c1-3(6)4(7)2-5/h2H,1H2/b4-2-
InChIKeyMESXUXRSZSSKIO-RQOWECAXSA-N
MW157.43 g/mol
LogP3.06
Rot. Bonds1

About (1Z)-1,2,3-trichlorobuta-1,3-diene

(1Z)-1,2,3-trichlorobuta-1,3-diene (PubChem CID 6433283) has the molecular formula C4H3Cl3 and a molecular weight of 157.43 g/mol. Its IUPAC name is (1Z)-1,2,3-trichlorobuta-1,3-diene.

Molecular Properties

Compound Name(1Z)-1,2,3-trichlorobuta-1,3-diene
PubChem CID6433283
Molecular FormulaC4H3Cl3
Molecular Weight157.43 g/mol
Exact Mass155.93
IUPAC Name(1Z)-1,2,3-trichlorobuta-1,3-diene
SMILESC=C(Cl)/C(Cl)=C/Cl
InChIInChI=1S/C4H3Cl3/c1-3(6)4(7)2-5/h2H,1H2/b4-2-
InChIKeyMESXUXRSZSSKIO-RQOWECAXSA-N
XLogP3.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.43
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z)-1,2,3-trichlorobuta-1,3-diene?
The IUPAC name of (1Z)-1,2,3-trichlorobuta-1,3-diene (CID 6433283) is (1Z)-1,2,3-trichlorobuta-1,3-diene.
What is the SMILES notation for (1Z)-1,2,3-trichlorobuta-1,3-diene?
The canonical SMILES for (1Z)-1,2,3-trichlorobuta-1,3-diene is C=C(Cl)/C(Cl)=C/Cl.
What is the InChIKey of (1Z)-1,2,3-trichlorobuta-1,3-diene?
The InChIKey is MESXUXRSZSSKIO-RQOWECAXSA-N. The full InChI is InChI=1S/C4H3Cl3/c1-3(6)4(7)2-5/h2H,1H2/b4-2-.
What are the key properties of (1Z)-1,2,3-trichlorobuta-1,3-diene?
(1Z)-1,2,3-trichlorobuta-1,3-diene has a molecular weight of 157.43 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1,2,3-trichlorobuta-1,3-diene is sourced from PubChem (CID 6433283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).