1,3-dibromo-2,4-difluorobutane

C4H6Br2F2 — CID 23263192

IUPAC1,3-dibromo-2,4-difluorobutane
SMILESFCC(Br)C(F)CBr
InChIInChI=1S/C4H6Br2F2/c5-1-4(8)3(6)2-7/h3-4H,1-2H2
InChIKeyCOLXWYOWUZIFKZ-UHFFFAOYSA-N
MW251.90 g/mol
LogP2.45
Rot. Bonds3

About 1,3-dibromo-2,4-difluorobutane

1,3-dibromo-2,4-difluorobutane (PubChem CID 23263192) has the molecular formula C4H6Br2F2 and a molecular weight of 251.90 g/mol. Its IUPAC name is 1,3-dibromo-2,4-difluorobutane.

Molecular Properties

Compound Name1,3-dibromo-2,4-difluorobutane
PubChem CID23263192
Molecular FormulaC4H6Br2F2
Molecular Weight251.90 g/mol
Exact Mass249.88
IUPAC Name1,3-dibromo-2,4-difluorobutane
SMILESFCC(Br)C(F)CBr
InChIInChI=1S/C4H6Br2F2/c5-1-4(8)3(6)2-7/h3-4H,1-2H2
InChIKeyCOLXWYOWUZIFKZ-UHFFFAOYSA-N
XLogP2.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.90
LogP ≤ 52.45
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-2,4-difluorobutane?
The IUPAC name of 1,3-dibromo-2,4-difluorobutane (CID 23263192) is 1,3-dibromo-2,4-difluorobutane.
What is the SMILES notation for 1,3-dibromo-2,4-difluorobutane?
The canonical SMILES for 1,3-dibromo-2,4-difluorobutane is FCC(Br)C(F)CBr.
What is the InChIKey of 1,3-dibromo-2,4-difluorobutane?
The InChIKey is COLXWYOWUZIFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6Br2F2/c5-1-4(8)3(6)2-7/h3-4H,1-2H2.
What are the key properties of 1,3-dibromo-2,4-difluorobutane?
1,3-dibromo-2,4-difluorobutane has a molecular weight of 251.90 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromo-2,4-difluorobutane is sourced from PubChem (CID 23263192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).