4,5-dibromo-1,1,1,2,2,3,3-heptafluoropentane

C5H3Br2F7 — CID 56587764

IUPAC4,5-dibromo-1,1,1,2,2,3,3-heptafluoropentane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(Br)CBr
InChIInChI=1S/C5H3Br2F7/c6-1-2(7)3(8,9)4(10,11)5(12,13)14/h2H,1H2
InChIKeyBTZKXQHJFPEDEC-UHFFFAOYSA-N
MW355.87 g/mol
LogP3.98
Rot. Bonds3

About 4,5-dibromo-1,1,1,2,2,3,3-heptafluoropentane

4,5-dibromo-1,1,1,2,2,3,3-heptafluoropentane (PubChem CID 56587764) has the molecular formula C5H3Br2F7 and a molecular weight of 355.87 g/mol. Its IUPAC name is 4,5-dibromo-1,1,1,2,2,3,3-heptafluoropentane.

Molecular Properties

Compound Name4,5-dibromo-1,1,1,2,2,3,3-heptafluoropentane
PubChem CID56587764
Molecular FormulaC5H3Br2F7
Molecular Weight355.87 g/mol
Exact Mass353.85
IUPAC Name4,5-dibromo-1,1,1,2,2,3,3-heptafluoropentane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(Br)CBr
InChIInChI=1S/C5H3Br2F7/c6-1-2(7)3(8,9)4(10,11)5(12,13)14/h2H,1H2
InChIKeyBTZKXQHJFPEDEC-UHFFFAOYSA-N
XLogP3.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4,5-dibromo-1,1,1,2,2,3,3-heptafluoropentane 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 4,5-dibromo-1,1,1,2,2,3,3-heptafluoropentane?
The IUPAC name of 4,5-dibromo-1,1,1,2,2,3,3-heptafluoropentane (CID 56587764) is 4,5-dibromo-1,1,1,2,2,3,3-heptafluoropentane.
What is the SMILES notation for 4,5-dibromo-1,1,1,2,2,3,3-heptafluoropentane?
The canonical SMILES for 4,5-dibromo-1,1,1,2,2,3,3-heptafluoropentane is FC(F)(F)C(F)(F)C(F)(F)C(Br)CBr.
What is the InChIKey of 4,5-dibromo-1,1,1,2,2,3,3-heptafluoropentane?
The InChIKey is BTZKXQHJFPEDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3Br2F7/c6-1-2(7)3(8,9)4(10,11)5(12,13)14/h2H,1H2.
What are the key properties of 4,5-dibromo-1,1,1,2,2,3,3-heptafluoropentane?
4,5-dibromo-1,1,1,2,2,3,3-heptafluoropentane has a molecular weight of 355.87 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-1,1,1,2,2,3,3-heptafluoropentane is sourced from PubChem (CID 56587764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).