butane;chloroform

C5H11Cl3 — CID 157237401

IUPACbutane;chloroform
SMILESCCCC.ClC(Cl)Cl
InChIInChI=1S/C4H10.CHCl3/c1-3-4-2;2-1(3)4/h3-4H2,1-2H3;1H
InChIKeyAUUMFTUIVAEWQO-UHFFFAOYSA-N
MW177.50 g/mol
LogP3.79
Rot. Bonds1

About butane;chloroform

butane;chloroform (PubChem CID 157237401) has the molecular formula C5H11Cl3 and a molecular weight of 177.50 g/mol. Its IUPAC name is butane;chloroform.

Molecular Properties

Compound Namebutane;chloroform
PubChem CID157237401
Molecular FormulaC5H11Cl3
Molecular Weight177.50 g/mol
Exact Mass175.99
IUPAC Namebutane;chloroform
SMILESCCCC.ClC(Cl)Cl
InChIInChI=1S/C4H10.CHCl3/c1-3-4-2;2-1(3)4/h3-4H2,1-2H3;1H
InChIKeyAUUMFTUIVAEWQO-UHFFFAOYSA-N
XLogP3.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.50
LogP ≤ 53.79
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 butane;chloroform?
The IUPAC name of butane;chloroform (CID 157237401) is butane;chloroform.
What is the SMILES notation for butane;chloroform?
The canonical SMILES for butane;chloroform is CCCC.ClC(Cl)Cl.
What is the InChIKey of butane;chloroform?
The InChIKey is AUUMFTUIVAEWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10.CHCl3/c1-3-4-2;2-1(3)4/h3-4H2,1-2H3;1H.
What are the key properties of butane;chloroform?
butane;chloroform has a molecular weight of 177.50 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;chloroform is sourced from PubChem (CID 157237401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).