butane;dichloroindigane

C4H11Cl2In — CID 174486078

IUPACbutane;dichloroindigane
SMILESCCCC.Cl[InH]Cl
InChIInChI=1S/C4H10.2ClH.In.H/c1-3-4-2;;;;/h3-4H2,1-2H3;2*1H;;/q;;;+2;/p-2
InChIKeyQLEARXLCGQGYOY-UHFFFAOYSA-L
MW244.86 g/mol
LogP2.54
Rot. Bonds1

About butane;dichloroindigane

butane;dichloroindigane (PubChem CID 174486078) has the molecular formula C4H11Cl2In and a molecular weight of 244.86 g/mol. Its IUPAC name is butane;dichloroindigane.

Molecular Properties

Compound Namebutane;dichloroindigane
PubChem CID174486078
Molecular FormulaC4H11Cl2In
Molecular Weight244.86 g/mol
Exact Mass243.93
IUPAC Namebutane;dichloroindigane
SMILESCCCC.Cl[InH]Cl
InChIInChI=1S/C4H10.2ClH.In.H/c1-3-4-2;;;;/h3-4H2,1-2H3;2*1H;;/q;;;+2;/p-2
InChIKeyQLEARXLCGQGYOY-UHFFFAOYSA-L
XLogP2.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.86
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze butane;dichloroindigane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

butane;chloromethane
CID 23360987
azane;butane
CID 18518846
butane;methane
CID 161323740
butane;hydrazine
CID 161056989
butane;dihydroiodide
CID 173299742
butane;methane
CID 169432073
butane;octahydrofluoride
CID 173254735
butane;dihydrochloride
CID 175321374
butane;neodymium
CID 173047512
butane;manganese
CID 173124338
butane;sulfane
CID 162203569
butane;lanthanum
CID 174455562

Frequently Asked Questions

What is the IUPAC name of butane;dichloroindigane?
The IUPAC name of butane;dichloroindigane (CID 174486078) is butane;dichloroindigane.
What is the SMILES notation for butane;dichloroindigane?
The canonical SMILES for butane;dichloroindigane is CCCC.Cl[InH]Cl.
What is the InChIKey of butane;dichloroindigane?
The InChIKey is QLEARXLCGQGYOY-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H10.2ClH.In.H/c1-3-4-2;;;;/h3-4H2,1-2H3;2*1H;;/q;;;+2;/p-2.
What are the key properties of butane;dichloroindigane?
butane;dichloroindigane has a molecular weight of 244.86 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;dichloroindigane is sourced from PubChem (CID 174486078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).