bromomethane;ethane

C7H21Br — CID 91249376

IUPACbromomethane;ethane
SMILESCBr.CC.CC.CC
InChIInChI=1S/3C2H6.CH3Br/c4*1-2/h3*1-2H3;1H3
InChIKeyNHVSICHTGZJSBD-UHFFFAOYSA-N
MW185.15 g/mol
LogP4.09
Rot. Bonds

About bromomethane;ethane

bromomethane;ethane (PubChem CID 91249376) has the molecular formula C7H21Br and a molecular weight of 185.15 g/mol. Its IUPAC name is bromomethane;ethane.

Molecular Properties

Compound Namebromomethane;ethane
PubChem CID91249376
Molecular FormulaC7H21Br
Molecular Weight185.15 g/mol
Exact Mass184.08
IUPAC Namebromomethane;ethane
SMILESCBr.CC.CC.CC
InChIInChI=1S/3C2H6.CH3Br/c4*1-2/h3*1-2H3;1H3
InChIKeyNHVSICHTGZJSBD-UHFFFAOYSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.15
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze bromomethane;ethane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bromomethane;ethane?
The IUPAC name of bromomethane;ethane (CID 91249376) is bromomethane;ethane.
What is the SMILES notation for bromomethane;ethane?
The canonical SMILES for bromomethane;ethane is CBr.CC.CC.CC.
What is the InChIKey of bromomethane;ethane?
The InChIKey is NHVSICHTGZJSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/3C2H6.CH3Br/c4*1-2/h3*1-2H3;1H3.
What are the key properties of bromomethane;ethane?
bromomethane;ethane has a molecular weight of 185.15 g/mol, XLogP of 4.09, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromomethane;ethane is sourced from PubChem (CID 91249376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).