3-bromo-2-(bromomethyl)prop-1-ene

C4H6Br2 — CID 10965866

IUPAC3-bromo-2-(bromomethyl)prop-1-ene
SMILESC=C(CBr)CBr
InChIInChI=1S/C4H6Br2/c1-4(2-5)3-6/h1-3H2
InChIKeyBDHXXBPPYQRWMC-UHFFFAOYSA-N
MW213.90 g/mol
LogP2.33
Rot. Bonds2

About 3-bromo-2-(bromomethyl)prop-1-ene

3-bromo-2-(bromomethyl)prop-1-ene (PubChem CID 10965866) has the molecular formula C4H6Br2 and a molecular weight of 213.90 g/mol. Its IUPAC name is 3-bromo-2-(bromomethyl)prop-1-ene.

Molecular Properties

Compound Name3-bromo-2-(bromomethyl)prop-1-ene
PubChem CID10965866
Molecular FormulaC4H6Br2
Molecular Weight213.90 g/mol
Exact Mass211.88
IUPAC Name3-bromo-2-(bromomethyl)prop-1-ene
SMILESC=C(CBr)CBr
InChIInChI=1S/C4H6Br2/c1-4(2-5)3-6/h1-3H2
InChIKeyBDHXXBPPYQRWMC-UHFFFAOYSA-N
XLogP2.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.90
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(bromomethyl)prop-1-ene?
The IUPAC name of 3-bromo-2-(bromomethyl)prop-1-ene (CID 10965866) is 3-bromo-2-(bromomethyl)prop-1-ene.
What is the SMILES notation for 3-bromo-2-(bromomethyl)prop-1-ene?
The canonical SMILES for 3-bromo-2-(bromomethyl)prop-1-ene is C=C(CBr)CBr.
What is the InChIKey of 3-bromo-2-(bromomethyl)prop-1-ene?
The InChIKey is BDHXXBPPYQRWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6Br2/c1-4(2-5)3-6/h1-3H2.
What are the key properties of 3-bromo-2-(bromomethyl)prop-1-ene?
3-bromo-2-(bromomethyl)prop-1-ene has a molecular weight of 213.90 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(bromomethyl)prop-1-ene is sourced from PubChem (CID 10965866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).