2,3-dibromo-3,3-difluoroprop-1-ene

C3H2Br2F2 — CID 2736763

IUPAC2,3-dibromo-3,3-difluoroprop-1-ene
SMILESC=C(Br)C(F)(F)Br
InChIInChI=1S/C3H2Br2F2/c1-2(4)3(5,6)7/h1H2
InChIKeyXWOGOZVYKBOSPJ-UHFFFAOYSA-N
MW235.85 g/mol
LogP2.88
Rot. Bonds1

About 2,3-dibromo-3,3-difluoroprop-1-ene

2,3-dibromo-3,3-difluoroprop-1-ene (PubChem CID 2736763) has the molecular formula C3H2Br2F2 and a molecular weight of 235.85 g/mol. Its IUPAC name is 2,3-dibromo-3,3-difluoroprop-1-ene.

Molecular Properties

Compound Name2,3-dibromo-3,3-difluoroprop-1-ene
PubChem CID2736763
Molecular FormulaC3H2Br2F2
Molecular Weight235.85 g/mol
Exact Mass233.85
IUPAC Name2,3-dibromo-3,3-difluoroprop-1-ene
SMILESC=C(Br)C(F)(F)Br
InChIInChI=1S/C3H2Br2F2/c1-2(4)3(5,6)7/h1H2
InChIKeyXWOGOZVYKBOSPJ-UHFFFAOYSA-N
XLogP2.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.85
LogP ≤ 52.88
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 2,3-dibromo-3,3-difluoroprop-1-ene?
The IUPAC name of 2,3-dibromo-3,3-difluoroprop-1-ene (CID 2736763) is 2,3-dibromo-3,3-difluoroprop-1-ene.
What is the SMILES notation for 2,3-dibromo-3,3-difluoroprop-1-ene?
The canonical SMILES for 2,3-dibromo-3,3-difluoroprop-1-ene is C=C(Br)C(F)(F)Br.
What is the InChIKey of 2,3-dibromo-3,3-difluoroprop-1-ene?
The InChIKey is XWOGOZVYKBOSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2Br2F2/c1-2(4)3(5,6)7/h1H2.
What are the key properties of 2,3-dibromo-3,3-difluoroprop-1-ene?
2,3-dibromo-3,3-difluoroprop-1-ene has a molecular weight of 235.85 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-3,3-difluoroprop-1-ene is sourced from PubChem (CID 2736763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).