1,1,1,3-tetrachloropropane;trichloroalumane

C3H4AlCl7 — CID 174769747

IUPAC1,1,1,3-tetrachloropropane;trichloroalumane
SMILESClCCC(Cl)(Cl)Cl.Cl[Al](Cl)Cl
InChIInChI=1S/C3H4Cl4.Al.3ClH/c4-2-1-3(5,6)7;;;;/h1-2H2;;3*1H/q;+3;;;/p-3
InChIKeyLMBPVXNXIMWHIW-UHFFFAOYSA-K
MW315.22 g/mol
LogP4.67
Rot. Bonds1

About 1,1,1,3-tetrachloropropane;trichloroalumane

1,1,1,3-tetrachloropropane;trichloroalumane (PubChem CID 174769747) has the molecular formula C3H4AlCl7 and a molecular weight of 315.22 g/mol. Its IUPAC name is 1,1,1,3-tetrachloropropane;trichloroalumane.

Molecular Properties

Compound Name1,1,1,3-tetrachloropropane;trichloroalumane
PubChem CID174769747
Molecular FormulaC3H4AlCl7
Molecular Weight315.22 g/mol
Exact Mass311.79
IUPAC Name1,1,1,3-tetrachloropropane;trichloroalumane
SMILESClCCC(Cl)(Cl)Cl.Cl[Al](Cl)Cl
InChIInChI=1S/C3H4Cl4.Al.3ClH/c4-2-1-3(5,6)7;;;;/h1-2H2;;3*1H/q;+3;;;/p-3
InChIKeyLMBPVXNXIMWHIW-UHFFFAOYSA-K
XLogP4.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.22
LogP ≤ 54.67
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 1,1,1,3-tetrachloropropane;trichloroalumane?
The IUPAC name of 1,1,1,3-tetrachloropropane;trichloroalumane (CID 174769747) is 1,1,1,3-tetrachloropropane;trichloroalumane.
What is the SMILES notation for 1,1,1,3-tetrachloropropane;trichloroalumane?
The canonical SMILES for 1,1,1,3-tetrachloropropane;trichloroalumane is ClCCC(Cl)(Cl)Cl.Cl[Al](Cl)Cl.
What is the InChIKey of 1,1,1,3-tetrachloropropane;trichloroalumane?
The InChIKey is LMBPVXNXIMWHIW-UHFFFAOYSA-K. The full InChI is InChI=1S/C3H4Cl4.Al.3ClH/c4-2-1-3(5,6)7;;;;/h1-2H2;;3*1H/q;+3;;;/p-3.
What are the key properties of 1,1,1,3-tetrachloropropane;trichloroalumane?
1,1,1,3-tetrachloropropane;trichloroalumane has a molecular weight of 315.22 g/mol, XLogP of 4.67, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3-tetrachloropropane;trichloroalumane is sourced from PubChem (CID 174769747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).