bromomethane;ethane;methane

C4H13Br — CID 161081403

IUPACbromomethane;ethane;methane
SMILESC.CBr.CC
InChIInChI=1S/C2H6.CH3Br.CH4/c2*1-2;/h1-2H3;1H3;1H4
InChIKeyUFYORGKPDFVUPF-UHFFFAOYSA-N
MW141.05 g/mol
LogP2.67
Rot. Bonds

About bromomethane;ethane;methane

bromomethane;ethane;methane (PubChem CID 161081403) has the molecular formula C4H13Br and a molecular weight of 141.05 g/mol. Its IUPAC name is bromomethane;ethane;methane.

Molecular Properties

Compound Namebromomethane;ethane;methane
PubChem CID161081403
Molecular FormulaC4H13Br
Molecular Weight141.05 g/mol
Exact Mass140.02
IUPAC Namebromomethane;ethane;methane
SMILESC.CBr.CC
InChIInChI=1S/C2H6.CH3Br.CH4/c2*1-2;/h1-2H3;1H3;1H4
InChIKeyUFYORGKPDFVUPF-UHFFFAOYSA-N
XLogP2.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.05
LogP ≤ 52.67
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 bromomethane;ethane;methane?
The IUPAC name of bromomethane;ethane;methane (CID 161081403) is bromomethane;ethane;methane.
What is the SMILES notation for bromomethane;ethane;methane?
The canonical SMILES for bromomethane;ethane;methane is C.CBr.CC.
What is the InChIKey of bromomethane;ethane;methane?
The InChIKey is UFYORGKPDFVUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6.CH3Br.CH4/c2*1-2;/h1-2H3;1H3;1H4.
What are the key properties of bromomethane;ethane;methane?
bromomethane;ethane;methane has a molecular weight of 141.05 g/mol, XLogP of 2.67, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromomethane;ethane;methane is sourced from PubChem (CID 161081403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).