2,3-dibromo-1,1,1,2,4,4,4-heptafluorobutane

C4HBr2F7 — CID 23064959

IUPAC2,3-dibromo-1,1,1,2,4,4,4-heptafluorobutane
SMILESFC(F)(F)C(Br)C(F)(Br)C(F)(F)F
InChIInChI=1S/C4HBr2F7/c5-1(3(8,9)10)2(6,7)4(11,12)13/h1H
InChIKeyGCQAZJLJGUAWIW-UHFFFAOYSA-N
MW341.85 g/mol
LogP3.94
Rot. Bonds1

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

2,3-dibromo-1,1,1,2,4,4,4-heptafluorobutane (PubChem CID 23064959) has the molecular formula C4HBr2F7 and a molecular weight of 341.85 g/mol. Its IUPAC name is 2,3-dibromo-1,1,1,2,4,4,4-heptafluorobutane.

Molecular Properties

Compound Name2,3-dibromo-1,1,1,2,4,4,4-heptafluorobutane
PubChem CID23064959
Molecular FormulaC4HBr2F7
Molecular Weight341.85 g/mol
Exact Mass339.83
IUPAC Name2,3-dibromo-1,1,1,2,4,4,4-heptafluorobutane
SMILESFC(F)(F)C(Br)C(F)(Br)C(F)(F)F
InChIInChI=1S/C4HBr2F7/c5-1(3(8,9)10)2(6,7)4(11,12)13/h1H
InChIKeyGCQAZJLJGUAWIW-UHFFFAOYSA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.85
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2,3-dibromo-1,1,1,2,4,4,4-heptafluorobutane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-1,1,1,2,4,4,4-heptafluorobutane?
The IUPAC name of 2,3-dibromo-1,1,1,2,4,4,4-heptafluorobutane (CID 23064959) is 2,3-dibromo-1,1,1,2,4,4,4-heptafluorobutane.
What is the SMILES notation for 2,3-dibromo-1,1,1,2,4,4,4-heptafluorobutane?
The canonical SMILES for 2,3-dibromo-1,1,1,2,4,4,4-heptafluorobutane is FC(F)(F)C(Br)C(F)(Br)C(F)(F)F.
What is the InChIKey of 2,3-dibromo-1,1,1,2,4,4,4-heptafluorobutane?
The InChIKey is GCQAZJLJGUAWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HBr2F7/c5-1(3(8,9)10)2(6,7)4(11,12)13/h1H.
What are the key properties of 2,3-dibromo-1,1,1,2,4,4,4-heptafluorobutane?
2,3-dibromo-1,1,1,2,4,4,4-heptafluorobutane has a molecular weight of 341.85 g/mol, XLogP of 3.94, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-1,1,1,2,4,4,4-heptafluorobutane is sourced from PubChem (CID 23064959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).