2,3,4-trichlorobut-1-ene

C4H5Cl3 — CID 17073

IUPAC2,3,4-trichlorobut-1-ene
SMILESC=C(Cl)C(Cl)CCl
InChIInChI=1S/C4H5Cl3/c1-3(6)4(7)2-5/h4H,1-2H2
InChIKeyWZUZDBPJFHQVJC-UHFFFAOYSA-N
MW159.44 g/mol
LogP2.59
Rot. Bonds2

About 2,3,4-trichlorobut-1-ene

2,3,4-trichlorobut-1-ene (PubChem CID 17073) has the molecular formula C4H5Cl3 and a molecular weight of 159.44 g/mol. Its IUPAC name is 2,3,4-trichlorobut-1-ene.

Molecular Properties

Compound Name2,3,4-trichlorobut-1-ene
PubChem CID17073
Molecular FormulaC4H5Cl3
Molecular Weight159.44 g/mol
Exact Mass157.95
IUPAC Name2,3,4-trichlorobut-1-ene
SMILESC=C(Cl)C(Cl)CCl
InChIInChI=1S/C4H5Cl3/c1-3(6)4(7)2-5/h4H,1-2H2
InChIKeyWZUZDBPJFHQVJC-UHFFFAOYSA-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'}

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Related Compounds

3,4-Dichloro-1-butene
CID 12971
1,4-Dichlorobutene
CID 5366899
2,3-Dichloro-1-butene
CID 110944
2,4-Dichlorobut-1-ene
CID 12139043
Lithium 4-chlorobut-1-en-2-ide
CID 12957922
1,1,3-Trichloro-3-butene
CID 102586407
1,2-Dichlorobutene
CID 13574992
1,2,3,4-Tetrachlorobut-1-ene
CID 57121669
cis-1,4-Dichlorobutene
CID 86614758
(Z)-1,2,4-trichlorobut-1-ene
CID 55298448
(E)-1,2,4-Trichloro-1-butene
CID 90473795
CID 35801
CID 35801

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trichlorobut-1-ene?
The IUPAC name of 2,3,4-trichlorobut-1-ene (CID 17073) is 2,3,4-trichlorobut-1-ene.
What is the SMILES notation for 2,3,4-trichlorobut-1-ene?
The canonical SMILES for 2,3,4-trichlorobut-1-ene is C=C(Cl)C(Cl)CCl.
What is the InChIKey of 2,3,4-trichlorobut-1-ene?
The InChIKey is WZUZDBPJFHQVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5Cl3/c1-3(6)4(7)2-5/h4H,1-2H2.
What are the key properties of 2,3,4-trichlorobut-1-ene?
2,3,4-trichlorobut-1-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 2,3,4-trichlorobut-1-ene is sourced from PubChem (CID 17073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).