1,2,4-trichloro-2-(chloromethyl)butane

C5H8Cl4 — CID 54355811

IUPAC1,2,4-trichloro-2-(chloromethyl)butane
SMILESClCCC(Cl)(CCl)CCl
InChIInChI=1S/C5H8Cl4/c6-2-1-5(9,3-7)4-8/h1-4H2
InChIKeyUJABLXMYMZLPEM-UHFFFAOYSA-N
MW209.93 g/mol
LogP3.07
Rot. Bonds4

About 1,2,4-trichloro-2-(chloromethyl)butane

1,2,4-trichloro-2-(chloromethyl)butane (PubChem CID 54355811) has the molecular formula C5H8Cl4 and a molecular weight of 209.93 g/mol. Its IUPAC name is 1,2,4-trichloro-2-(chloromethyl)butane.

Molecular Properties

Compound Name1,2,4-trichloro-2-(chloromethyl)butane
PubChem CID54355811
Molecular FormulaC5H8Cl4
Molecular Weight209.93 g/mol
Exact Mass207.94
IUPAC Name1,2,4-trichloro-2-(chloromethyl)butane
SMILESClCCC(Cl)(CCl)CCl
InChIInChI=1S/C5H8Cl4/c6-2-1-5(9,3-7)4-8/h1-4H2
InChIKeyUJABLXMYMZLPEM-UHFFFAOYSA-N
XLogP3.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.93
LogP ≤ 53.07
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

1,2-Dichloro-2-methylbutane
CID 140983
1,2,3,4-Tetrachlorobutane
CID 18854
Amylene dichloride
CID 10489
1,3-Dichloro-3-methylbutane
CID 69358
1,2-Dichloro-3-methylbutane
CID 136399
1,2,3-Trichloro-2-(chloromethyl)propane
CID 251049
rel-(2R,3S)-1,2,3,4-Tetrachlorobutane
CID 11579284
1,2,3-Trichloro-2-methylbutane
CID 14451390
1,2,3-Trichloro-3-methylbutane
CID 12615567
1,4-Dichloro-2,3-bis(chloromethyl)butane
CID 1540430
Butanochlorin
CID 156612812
(2S,3S)-1,2,3,4-tetrachlorobutane
CID 637154

Frequently Asked Questions

What is the IUPAC name of 1,2,4-trichloro-2-(chloromethyl)butane?
The IUPAC name of 1,2,4-trichloro-2-(chloromethyl)butane (CID 54355811) is 1,2,4-trichloro-2-(chloromethyl)butane.
What is the SMILES notation for 1,2,4-trichloro-2-(chloromethyl)butane?
The canonical SMILES for 1,2,4-trichloro-2-(chloromethyl)butane is ClCCC(Cl)(CCl)CCl.
What is the InChIKey of 1,2,4-trichloro-2-(chloromethyl)butane?
The InChIKey is UJABLXMYMZLPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8Cl4/c6-2-1-5(9,3-7)4-8/h1-4H2.
What are the key properties of 1,2,4-trichloro-2-(chloromethyl)butane?
1,2,4-trichloro-2-(chloromethyl)butane has a molecular weight of 209.93 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trichloro-2-(chloromethyl)butane is sourced from PubChem (CID 54355811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).