(E)-1,2,3-trichlorobut-2-ene

C4H5Cl3 — CID 3035847

IUPAC(E)-1,2,3-trichlorobut-2-ene
SMILESC/C(Cl)=C(\Cl)CCl
InChIInChI=1S/C4H5Cl3/c1-3(6)4(7)2-5/h2H2,1H3/b4-3+
InChIKeyGANXLRLPPXLNTI-ONEGZZNKSA-N
MW159.44 g/mol
LogP2.93
Rot. Bonds1

About (E)-1,2,3-trichlorobut-2-ene

(E)-1,2,3-trichlorobut-2-ene (PubChem CID 3035847) has the molecular formula C4H5Cl3 and a molecular weight of 159.44 g/mol. Its IUPAC name is (E)-1,2,3-trichlorobut-2-ene.

Molecular Properties

Compound Name(E)-1,2,3-trichlorobut-2-ene
PubChem CID3035847
Molecular FormulaC4H5Cl3
Molecular Weight159.44 g/mol
Exact Mass157.95
IUPAC Name(E)-1,2,3-trichlorobut-2-ene
SMILESC/C(Cl)=C(\Cl)CCl
InChIInChI=1S/C4H5Cl3/c1-3(6)4(7)2-5/h2H2,1H3/b4-3+
InChIKeyGANXLRLPPXLNTI-ONEGZZNKSA-N
XLogP2.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.44
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 (E)-1,2,3-trichlorobut-2-ene?
The IUPAC name of (E)-1,2,3-trichlorobut-2-ene (CID 3035847) is (E)-1,2,3-trichlorobut-2-ene.
What is the SMILES notation for (E)-1,2,3-trichlorobut-2-ene?
The canonical SMILES for (E)-1,2,3-trichlorobut-2-ene is C/C(Cl)=C(\Cl)CCl.
What is the InChIKey of (E)-1,2,3-trichlorobut-2-ene?
The InChIKey is GANXLRLPPXLNTI-ONEGZZNKSA-N. The full InChI is InChI=1S/C4H5Cl3/c1-3(6)4(7)2-5/h2H2,1H3/b4-3+.
What are the key properties of (E)-1,2,3-trichlorobut-2-ene?
(E)-1,2,3-trichlorobut-2-ene has a molecular weight of 159.44 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,2,3-trichlorobut-2-ene is sourced from PubChem (CID 3035847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).