dibromo(prop-2-enyl)borane

C3H5BBr2 — CID 25098889

IUPACdibromo(prop-2-enyl)borane
SMILESC=CCB(Br)Br
InChIInChI=1S/C3H5BBr2/c1-2-3-4(5)6/h2H,1,3H2
InChIKeyWTZWFHJKIPMGPT-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.45
Rot. Bonds2

About dibromo(prop-2-enyl)borane

dibromo(prop-2-enyl)borane (PubChem CID 25098889) has the molecular formula C3H5BBr2 and a molecular weight of 211.69 g/mol. Its IUPAC name is dibromo(prop-2-enyl)borane.

Molecular Properties

Compound Namedibromo(prop-2-enyl)borane
PubChem CID25098889
Molecular FormulaC3H5BBr2
Molecular Weight211.69 g/mol
Exact Mass209.89
IUPAC Namedibromo(prop-2-enyl)borane
SMILESC=CCB(Br)Br
InChIInChI=1S/C3H5BBr2/c1-2-3-4(5)6/h2H,1,3H2
InChIKeyWTZWFHJKIPMGPT-UHFFFAOYSA-N
XLogP2.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-bromoprop-1-ene;zinc
CID 87243076
CID 173308048
CID 173308048
CID 173241572
CID 173241572
trimethyl(prop-2-enyl)azanium;dihydrochloride
CID 174494481
tris(prop-2-enyl)stibane
CID 14874506
sulfane;tetrakis(prop-2-enyl)azanium
CID 174809251
tris(prop-2-enyl)boranuide
CID 173017948
azane;trimethyl(prop-2-enyl)azanium;bromide;hydrobromide
CID 174829617
tetrakis(prop-2-enyl)azanium chloride
CID 11264347
3-bromoprop-1-ene;iodomethane
CID 174834999
hydron;tetrakis(prop-2-enyl)azanium
CID 87913836
3-hydroxypropoxy(prop-2-enyl)borinic acid
CID 134964642

Frequently Asked Questions

What is the IUPAC name of dibromo(prop-2-enyl)borane?
The IUPAC name of dibromo(prop-2-enyl)borane (CID 25098889) is dibromo(prop-2-enyl)borane.
What is the SMILES notation for dibromo(prop-2-enyl)borane?
The canonical SMILES for dibromo(prop-2-enyl)borane is C=CCB(Br)Br.
What is the InChIKey of dibromo(prop-2-enyl)borane?
The InChIKey is WTZWFHJKIPMGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5BBr2/c1-2-3-4(5)6/h2H,1,3H2.
What are the key properties of dibromo(prop-2-enyl)borane?
dibromo(prop-2-enyl)borane has a molecular weight of 211.69 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibromo(prop-2-enyl)borane is sourced from PubChem (CID 25098889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).