1,3-dibromo-1,1-difluoro-4-methylpentane

C6H10Br2F2 — CID 23459297

IUPAC1,3-dibromo-1,1-difluoro-4-methylpentane
SMILESCC(C)C(Br)CC(F)(F)Br
InChIInChI=1S/C6H10Br2F2/c1-4(2)5(7)3-6(8,9)10/h4-5H,3H2,1-2H3
InChIKeyWQTRBUIQWLNIHI-UHFFFAOYSA-N
MW279.95 g/mol
LogP3.78
Rot. Bonds3

About 1,3-dibromo-1,1-difluoro-4-methylpentane

1,3-dibromo-1,1-difluoro-4-methylpentane (PubChem CID 23459297) has the molecular formula C6H10Br2F2 and a molecular weight of 279.95 g/mol. Its IUPAC name is 1,3-dibromo-1,1-difluoro-4-methylpentane.

Molecular Properties

Compound Name1,3-dibromo-1,1-difluoro-4-methylpentane
PubChem CID23459297
Molecular FormulaC6H10Br2F2
Molecular Weight279.95 g/mol
Exact Mass277.91
IUPAC Name1,3-dibromo-1,1-difluoro-4-methylpentane
SMILESCC(C)C(Br)CC(F)(F)Br
InChIInChI=1S/C6H10Br2F2/c1-4(2)5(7)3-6(8,9)10/h4-5H,3H2,1-2H3
InChIKeyWQTRBUIQWLNIHI-UHFFFAOYSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.95
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,3-dibromo-1,1-difluoro-4-methylpentane 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 1,3-dibromo-1,1-difluoro-4-methylpentane?
The IUPAC name of 1,3-dibromo-1,1-difluoro-4-methylpentane (CID 23459297) is 1,3-dibromo-1,1-difluoro-4-methylpentane.
What is the SMILES notation for 1,3-dibromo-1,1-difluoro-4-methylpentane?
The canonical SMILES for 1,3-dibromo-1,1-difluoro-4-methylpentane is CC(C)C(Br)CC(F)(F)Br.
What is the InChIKey of 1,3-dibromo-1,1-difluoro-4-methylpentane?
The InChIKey is WQTRBUIQWLNIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10Br2F2/c1-4(2)5(7)3-6(8,9)10/h4-5H,3H2,1-2H3.
What are the key properties of 1,3-dibromo-1,1-difluoro-4-methylpentane?
1,3-dibromo-1,1-difluoro-4-methylpentane has a molecular weight of 279.95 g/mol, XLogP of 3.78, 3 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-difluoro-4-methylpentane is sourced from PubChem (CID 23459297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).