1,1,2,3-tetrachloropropane

C3H4Cl4 — CID 29108

IUPAC1,1,2,3-tetrachloropropane
SMILESClCC(Cl)C(Cl)Cl
InChIInChI=1S/C3H4Cl4/c4-1-2(5)3(6)7/h2-3H,1H2
InChIKeyBUQMVYQMVLAYRU-UHFFFAOYSA-N
MW181.88 g/mol
LogP2.64
Rot. Bonds2

About 1,1,2,3-tetrachloropropane

1,1,2,3-tetrachloropropane (PubChem CID 29108) has the molecular formula C3H4Cl4 and a molecular weight of 181.88 g/mol. Its IUPAC name is 1,1,2,3-tetrachloropropane.

Molecular Properties

Compound Name1,1,2,3-tetrachloropropane
PubChem CID29108
Molecular FormulaC3H4Cl4
Molecular Weight181.88 g/mol
Exact Mass179.91
IUPAC Name1,1,2,3-tetrachloropropane
SMILESClCC(Cl)C(Cl)Cl
InChIInChI=1S/C3H4Cl4/c4-1-2(5)3(6)7/h2-3H,1H2
InChIKeyBUQMVYQMVLAYRU-UHFFFAOYSA-N
XLogP2.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.88
LogP ≤ 52.64
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 1,1,2,3-tetrachloropropane?
The IUPAC name of 1,1,2,3-tetrachloropropane (CID 29108) is 1,1,2,3-tetrachloropropane.
What is the SMILES notation for 1,1,2,3-tetrachloropropane?
The canonical SMILES for 1,1,2,3-tetrachloropropane is ClCC(Cl)C(Cl)Cl.
What is the InChIKey of 1,1,2,3-tetrachloropropane?
The InChIKey is BUQMVYQMVLAYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4Cl4/c4-1-2(5)3(6)7/h2-3H,1H2.
What are the key properties of 1,1,2,3-tetrachloropropane?
1,1,2,3-tetrachloropropane has a molecular weight of 181.88 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3-tetrachloropropane is sourced from PubChem (CID 29108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).