1,2-dibromo-1,2,3,3,3-pentafluoro-1-(2,2,3,3,3-pentafluoropropoxy)propane

C6H2Br2F10O — CID 2778205

IUPAC1,2-dibromo-1,2,3,3,3-pentafluoro-1-(2,2,3,3,3-pentafluoropropoxy)propane
SMILESFC(F)(F)C(F)(F)COC(F)(Br)C(F)(Br)C(F)(F)F
InChIInChI=1S/C6H2Br2F10O/c7-3(11,6(16,17)18)4(8,12)19-1-2(9,10)5(13,14)15/h1H2
InChIKeyXLBTXLUOMWOOEO-UHFFFAOYSA-N
MW439.87 g/mol
LogP4.84
Rot. Bonds4

About 1,2-dibromo-1,2,3,3,3-pentafluoro-1-(2,2,3,3,3-pentafluoropropoxy)propane

1,2-dibromo-1,2,3,3,3-pentafluoro-1-(2,2,3,3,3-pentafluoropropoxy)propane (PubChem CID 2778205) has the molecular formula C6H2Br2F10O and a molecular weight of 439.87 g/mol. Its IUPAC name is 1,2-dibromo-1,2,3,3,3-pentafluoro-1-(2,2,3,3,3-pentafluoropropoxy)propane.

Molecular Properties

Compound Name1,2-dibromo-1,2,3,3,3-pentafluoro-1-(2,2,3,3,3-pentafluoropropoxy)propane
PubChem CID2778205
Molecular FormulaC6H2Br2F10O
Molecular Weight439.87 g/mol
Exact Mass437.83
IUPAC Name1,2-dibromo-1,2,3,3,3-pentafluoro-1-(2,2,3,3,3-pentafluoropropoxy)propane
SMILESFC(F)(F)C(F)(F)COC(F)(Br)C(F)(Br)C(F)(F)F
InChIInChI=1S/C6H2Br2F10O/c7-3(11,6(16,17)18)4(8,12)19-1-2(9,10)5(13,14)15/h1H2
InChIKeyXLBTXLUOMWOOEO-UHFFFAOYSA-N
XLogP4.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.87
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-dibromo-1,2,3,3,3-pentafluoro-1-(2,2,3,3,3-pentafluoropropoxy)propane?
The IUPAC name of 1,2-dibromo-1,2,3,3,3-pentafluoro-1-(2,2,3,3,3-pentafluoropropoxy)propane (CID 2778205) is 1,2-dibromo-1,2,3,3,3-pentafluoro-1-(2,2,3,3,3-pentafluoropropoxy)propane.
What is the SMILES notation for 1,2-dibromo-1,2,3,3,3-pentafluoro-1-(2,2,3,3,3-pentafluoropropoxy)propane?
The canonical SMILES for 1,2-dibromo-1,2,3,3,3-pentafluoro-1-(2,2,3,3,3-pentafluoropropoxy)propane is FC(F)(F)C(F)(F)COC(F)(Br)C(F)(Br)C(F)(F)F.
What is the InChIKey of 1,2-dibromo-1,2,3,3,3-pentafluoro-1-(2,2,3,3,3-pentafluoropropoxy)propane?
The InChIKey is XLBTXLUOMWOOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Br2F10O/c7-3(11,6(16,17)18)4(8,12)19-1-2(9,10)5(13,14)15/h1H2.
What are the key properties of 1,2-dibromo-1,2,3,3,3-pentafluoro-1-(2,2,3,3,3-pentafluoropropoxy)propane?
1,2-dibromo-1,2,3,3,3-pentafluoro-1-(2,2,3,3,3-pentafluoropropoxy)propane has a molecular weight of 439.87 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibromo-1,2,3,3,3-pentafluoro-1-(2,2,3,3,3-pentafluoropropoxy)propane is sourced from PubChem (CID 2778205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).