(Z)-1,1,4-trichlorobut-2-ene

C4H5Cl3 — CID 102586408

IUPAC(Z)-1,1,4-trichlorobut-2-ene
SMILESClC/C=C\C(Cl)Cl
InChIInChI=1S/C4H5Cl3/c5-3-1-2-4(6)7/h1-2,4H,3H2/b2-1-
InChIKeyLSNLOFDRJFJKDX-UPHRSURJSA-N
MW159.44 g/mol
LogP2.59
Rot. Bonds2

About (Z)-1,1,4-trichlorobut-2-ene

(Z)-1,1,4-trichlorobut-2-ene (PubChem CID 102586408) has the molecular formula C4H5Cl3 and a molecular weight of 159.44 g/mol. Its IUPAC name is (Z)-1,1,4-trichlorobut-2-ene.

Molecular Properties

Compound Name(Z)-1,1,4-trichlorobut-2-ene
PubChem CID102586408
Molecular FormulaC4H5Cl3
Molecular Weight159.44 g/mol
Exact Mass157.95
IUPAC Name(Z)-1,1,4-trichlorobut-2-ene
SMILESClC/C=C\C(Cl)Cl
InChIInChI=1S/C4H5Cl3/c5-3-1-2-4(6)7/h1-2,4H,3H2/b2-1-
InChIKeyLSNLOFDRJFJKDX-UPHRSURJSA-N
XLogP2.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.44
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-1,1,4-trichlorobut-2-ene?
The IUPAC name of (Z)-1,1,4-trichlorobut-2-ene (CID 102586408) is (Z)-1,1,4-trichlorobut-2-ene.
What is the SMILES notation for (Z)-1,1,4-trichlorobut-2-ene?
The canonical SMILES for (Z)-1,1,4-trichlorobut-2-ene is ClC/C=C\C(Cl)Cl.
What is the InChIKey of (Z)-1,1,4-trichlorobut-2-ene?
The InChIKey is LSNLOFDRJFJKDX-UPHRSURJSA-N. The full InChI is InChI=1S/C4H5Cl3/c5-3-1-2-4(6)7/h1-2,4H,3H2/b2-1-.
What are the key properties of (Z)-1,1,4-trichlorobut-2-ene?
(Z)-1,1,4-trichlorobut-2-ene has a molecular weight of 159.44 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,1,4-trichlorobut-2-ene is sourced from PubChem (CID 102586408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).