1,3-dibromo-2,2-difluoro-1,3-dimethoxypropane

C5H8Br2F2O2 — CID 12768814

IUPAC1,3-dibromo-2,2-difluoro-1,3-dimethoxypropane
SMILESCOC(Br)C(F)(F)C(Br)OC
InChIInChI=1S/C5H8Br2F2O2/c1-10-3(6)5(8,9)4(7)11-2/h3-4H,1-2H3
InChIKeyOIPAAPFHFIXTGD-UHFFFAOYSA-N
MW297.92 g/mol
LogP2.36
Rot. Bonds4

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

1,3-dibromo-2,2-difluoro-1,3-dimethoxypropane (PubChem CID 12768814) has the molecular formula C5H8Br2F2O2 and a molecular weight of 297.92 g/mol. Its IUPAC name is 1,3-dibromo-2,2-difluoro-1,3-dimethoxypropane.

Molecular Properties

Compound Name1,3-dibromo-2,2-difluoro-1,3-dimethoxypropane
PubChem CID12768814
Molecular FormulaC5H8Br2F2O2
Molecular Weight297.92 g/mol
Exact Mass295.89
IUPAC Name1,3-dibromo-2,2-difluoro-1,3-dimethoxypropane
SMILESCOC(Br)C(F)(F)C(Br)OC
InChIInChI=1S/C5H8Br2F2O2/c1-10-3(6)5(8,9)4(7)11-2/h3-4H,1-2H3
InChIKeyOIPAAPFHFIXTGD-UHFFFAOYSA-N
XLogP2.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.92
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-2,2-difluoro-1,3-dimethoxypropane?
The IUPAC name of 1,3-dibromo-2,2-difluoro-1,3-dimethoxypropane (CID 12768814) is 1,3-dibromo-2,2-difluoro-1,3-dimethoxypropane.
What is the SMILES notation for 1,3-dibromo-2,2-difluoro-1,3-dimethoxypropane?
The canonical SMILES for 1,3-dibromo-2,2-difluoro-1,3-dimethoxypropane is COC(Br)C(F)(F)C(Br)OC.
What is the InChIKey of 1,3-dibromo-2,2-difluoro-1,3-dimethoxypropane?
The InChIKey is OIPAAPFHFIXTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8Br2F2O2/c1-10-3(6)5(8,9)4(7)11-2/h3-4H,1-2H3.
What are the key properties of 1,3-dibromo-2,2-difluoro-1,3-dimethoxypropane?
1,3-dibromo-2,2-difluoro-1,3-dimethoxypropane has a molecular weight of 297.92 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromo-2,2-difluoro-1,3-dimethoxypropane is sourced from PubChem (CID 12768814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).