bromomethane;ethane

C3H9Br — CID 90983432

IUPACbromomethane;ethane
SMILESCBr.CC
InChIInChI=1S/C2H6.CH3Br/c2*1-2/h1-2H3;1H3
InChIKeyBPNUWZGEOYLEDN-UHFFFAOYSA-N
MW125.01 g/mol
LogP2.04
Rot. Bonds

About bromomethane;ethane

bromomethane;ethane (PubChem CID 90983432) has the molecular formula C3H9Br and a molecular weight of 125.01 g/mol. Its IUPAC name is bromomethane;ethane.

Molecular Properties

Compound Namebromomethane;ethane
PubChem CID90983432
Molecular FormulaC3H9Br
Molecular Weight125.01 g/mol
Exact Mass123.99
IUPAC Namebromomethane;ethane
SMILESCBr.CC
InChIInChI=1S/C2H6.CH3Br/c2*1-2/h1-2H3;1H3
InChIKeyBPNUWZGEOYLEDN-UHFFFAOYSA-N
XLogP2.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.01
LogP ≤ 52.04
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?
The IUPAC name of bromomethane;ethane (CID 90983432) is bromomethane;ethane.
What is the SMILES notation for bromomethane;ethane?
The canonical SMILES for bromomethane;ethane is CBr.CC.
What is the InChIKey of bromomethane;ethane?
The InChIKey is BPNUWZGEOYLEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6.CH3Br/c2*1-2/h1-2H3;1H3.
What are the key properties of bromomethane;ethane?
bromomethane;ethane has a molecular weight of 125.01 g/mol, XLogP of 2.04, 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 90983432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).