1,3-dibromo-1,1-difluoro-2-methylbutane

C5H8Br2F2 — CID 134917454

IUPAC1,3-dibromo-1,1-difluoro-2-methylbutane
SMILESCC(Br)C(C)C(F)(F)Br
InChIInChI=1S/C5H8Br2F2/c1-3(4(2)6)5(7,8)9/h3-4H,1-2H3
InChIKeyOYKIPTMTLMLJSP-UHFFFAOYSA-N
MW265.92 g/mol
LogP3.39
Rot. Bonds2

About 1,3-dibromo-1,1-difluoro-2-methylbutane

1,3-dibromo-1,1-difluoro-2-methylbutane (PubChem CID 134917454) has the molecular formula C5H8Br2F2 and a molecular weight of 265.92 g/mol. Its IUPAC name is 1,3-dibromo-1,1-difluoro-2-methylbutane.

Molecular Properties

Compound Name1,3-dibromo-1,1-difluoro-2-methylbutane
PubChem CID134917454
Molecular FormulaC5H8Br2F2
Molecular Weight265.92 g/mol
Exact Mass263.90
IUPAC Name1,3-dibromo-1,1-difluoro-2-methylbutane
SMILESCC(Br)C(C)C(F)(F)Br
InChIInChI=1S/C5H8Br2F2/c1-3(4(2)6)5(7,8)9/h3-4H,1-2H3
InChIKeyOYKIPTMTLMLJSP-UHFFFAOYSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.92
LogP ≤ 53.39
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-difluoro-2-methylbutane?
The IUPAC name of 1,3-dibromo-1,1-difluoro-2-methylbutane (CID 134917454) is 1,3-dibromo-1,1-difluoro-2-methylbutane.
What is the SMILES notation for 1,3-dibromo-1,1-difluoro-2-methylbutane?
The canonical SMILES for 1,3-dibromo-1,1-difluoro-2-methylbutane is CC(Br)C(C)C(F)(F)Br.
What is the InChIKey of 1,3-dibromo-1,1-difluoro-2-methylbutane?
The InChIKey is OYKIPTMTLMLJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8Br2F2/c1-3(4(2)6)5(7,8)9/h3-4H,1-2H3.
What are the key properties of 1,3-dibromo-1,1-difluoro-2-methylbutane?
1,3-dibromo-1,1-difluoro-2-methylbutane has a molecular weight of 265.92 g/mol, XLogP of 3.39, 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-difluoro-2-methylbutane is sourced from PubChem (CID 134917454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).