1-chloro-2-[(E)-2,3,4-trichlorobut-2-enyl]benzene

C10H8Cl4 — CID 12502551

IUPAC1-chloro-2-[(E)-2,3,4-trichlorobut-2-enyl]benzene
SMILESClC/C(Cl)=C(\Cl)Cc1ccccc1Cl
InChIInChI=1S/C10H8Cl4/c11-6-10(14)9(13)5-7-3-1-2-4-8(7)12/h1-4H,5-6H2/b10-9+
InChIKeyQKVNFPOGTVKVMV-MDZDMXLPSA-N
MW269.99 g/mol
LogP4.81
Rot. Bonds3

About 1-chloro-2-[(E)-2,3,4-trichlorobut-2-enyl]benzene

1-chloro-2-[(E)-2,3,4-trichlorobut-2-enyl]benzene (PubChem CID 12502551) has the molecular formula C10H8Cl4 and a molecular weight of 269.99 g/mol. Its IUPAC name is 1-chloro-2-[(E)-2,3,4-trichlorobut-2-enyl]benzene.

Molecular Properties

Compound Name1-chloro-2-[(E)-2,3,4-trichlorobut-2-enyl]benzene
PubChem CID12502551
Molecular FormulaC10H8Cl4
Molecular Weight269.99 g/mol
Exact Mass267.94
IUPAC Name1-chloro-2-[(E)-2,3,4-trichlorobut-2-enyl]benzene
SMILESClC/C(Cl)=C(\Cl)Cc1ccccc1Cl
InChIInChI=1S/C10H8Cl4/c11-6-10(14)9(13)5-7-3-1-2-4-8(7)12/h1-4H,5-6H2/b10-9+
InChIKeyQKVNFPOGTVKVMV-MDZDMXLPSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.99
LogP ≤ 54.81
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

1-chloro-2-(2-chloroethyl)benzene
CID 12587535
2-chloroacetyl chloride;1,2-dichlorobenzene
CID 174927592
sodium;2-(2-chlorophenyl)acetic acid;hydride
CID 174699179
2-[(2-chlorophenyl)methyl]benzenecarbothioyl chloride
CID 141301153
2-[2-(2-chlorophenyl)ethyl]benzoic acid
CID 70516593
(2-chlorophenyl)-dideuteriomethanol
CID 142596700
(2-chlorophenyl)methylphosphonic acid
CID 23356121
CID 88515237
CID 88515237
2-(2-chlorophenyl)acetic acid;sulfuric acid
CID 158269272
1-chloro-2-(2-phenylethyl)benzene
CID 21495838
N,N-bis[(2-chlorophenyl)methyl]hydroxylamine
CID 54059227
2-(2-chlorophenyl)-N-[2-(2-chlorophenyl)ethyl]ethanamine
CID 70453735

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[(E)-2,3,4-trichlorobut-2-enyl]benzene?
The IUPAC name of 1-chloro-2-[(E)-2,3,4-trichlorobut-2-enyl]benzene (CID 12502551) is 1-chloro-2-[(E)-2,3,4-trichlorobut-2-enyl]benzene.
What is the SMILES notation for 1-chloro-2-[(E)-2,3,4-trichlorobut-2-enyl]benzene?
The canonical SMILES for 1-chloro-2-[(E)-2,3,4-trichlorobut-2-enyl]benzene is ClC/C(Cl)=C(\Cl)Cc1ccccc1Cl.
What is the InChIKey of 1-chloro-2-[(E)-2,3,4-trichlorobut-2-enyl]benzene?
The InChIKey is QKVNFPOGTVKVMV-MDZDMXLPSA-N. The full InChI is InChI=1S/C10H8Cl4/c11-6-10(14)9(13)5-7-3-1-2-4-8(7)12/h1-4H,5-6H2/b10-9+.
What are the key properties of 1-chloro-2-[(E)-2,3,4-trichlorobut-2-enyl]benzene?
1-chloro-2-[(E)-2,3,4-trichlorobut-2-enyl]benzene has a molecular weight of 269.99 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[(E)-2,3,4-trichlorobut-2-enyl]benzene is sourced from PubChem (CID 12502551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).