1,3-dibromo-1,1-difluorobutane

C4H6Br2F2 — CID 2736759

IUPAC1,3-dibromo-1,1-difluorobutane
SMILESCC(Br)CC(F)(F)Br
InChIInChI=1S/C4H6Br2F2/c1-3(5)2-4(6,7)8/h3H,2H2,1H3
InChIKeyDYWJVIZPXZXUML-UHFFFAOYSA-N
MW251.90 g/mol
LogP3.15
Rot. Bonds2

About 1,3-dibromo-1,1-difluorobutane

1,3-dibromo-1,1-difluorobutane (PubChem CID 2736759) has the molecular formula C4H6Br2F2 and a molecular weight of 251.90 g/mol. Its IUPAC name is 1,3-dibromo-1,1-difluorobutane.

Molecular Properties

Compound Name1,3-dibromo-1,1-difluorobutane
PubChem CID2736759
Molecular FormulaC4H6Br2F2
Molecular Weight251.90 g/mol
Exact Mass249.88
IUPAC Name1,3-dibromo-1,1-difluorobutane
SMILESCC(Br)CC(F)(F)Br
InChIInChI=1S/C4H6Br2F2/c1-3(5)2-4(6,7)8/h3H,2H2,1H3
InChIKeyDYWJVIZPXZXUML-UHFFFAOYSA-N
XLogP3.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.90
LogP ≤ 53.15
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 1,3-dibromo-1,1-difluorobutane?
The IUPAC name of 1,3-dibromo-1,1-difluorobutane (CID 2736759) is 1,3-dibromo-1,1-difluorobutane.
What is the SMILES notation for 1,3-dibromo-1,1-difluorobutane?
The canonical SMILES for 1,3-dibromo-1,1-difluorobutane is CC(Br)CC(F)(F)Br.
What is the InChIKey of 1,3-dibromo-1,1-difluorobutane?
The InChIKey is DYWJVIZPXZXUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6Br2F2/c1-3(5)2-4(6,7)8/h3H,2H2,1H3.
What are the key properties of 1,3-dibromo-1,1-difluorobutane?
1,3-dibromo-1,1-difluorobutane has a molecular weight of 251.90 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromo-1,1-difluorobutane is sourced from PubChem (CID 2736759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).