1-(1,2-dibromo-1,2,2-trifluoroethoxy)-1,1,2,3,3,3-hexafluoropropane

C5HBr2F9O — CID 89233684

IUPAC1-(1,2-dibromo-1,2,2-trifluoroethoxy)-1,1,2,3,3,3-hexafluoropropane
SMILESFC(C(F)(F)F)C(F)(F)OC(F)(Br)C(F)(F)Br
InChIInChI=1S/C5HBr2F9O/c6-4(14,15)5(7,16)17-3(12,13)1(8)2(9,10)11/h1H
InChIKeyOPSDNQLIUUQOKE-UHFFFAOYSA-N
MW407.85 g/mol
LogP4.50
Rot. Bonds4

About 1-(1,2-dibromo-1,2,2-trifluoroethoxy)-1,1,2,3,3,3-hexafluoropropane

1-(1,2-dibromo-1,2,2-trifluoroethoxy)-1,1,2,3,3,3-hexafluoropropane (PubChem CID 89233684) has the molecular formula C5HBr2F9O and a molecular weight of 407.85 g/mol. Its IUPAC name is 1-(1,2-dibromo-1,2,2-trifluoroethoxy)-1,1,2,3,3,3-hexafluoropropane.

Molecular Properties

Compound Name1-(1,2-dibromo-1,2,2-trifluoroethoxy)-1,1,2,3,3,3-hexafluoropropane
PubChem CID89233684
Molecular FormulaC5HBr2F9O
Molecular Weight407.85 g/mol
Exact Mass405.83
IUPAC Name1-(1,2-dibromo-1,2,2-trifluoroethoxy)-1,1,2,3,3,3-hexafluoropropane
SMILESFC(C(F)(F)F)C(F)(F)OC(F)(Br)C(F)(F)Br
InChIInChI=1S/C5HBr2F9O/c6-4(14,15)5(7,16)17-3(12,13)1(8)2(9,10)11/h1H
InChIKeyOPSDNQLIUUQOKE-UHFFFAOYSA-N
XLogP4.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.85
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(1,2-dibromo-1,2,2-trifluoroethoxy)-1,1,2,3,3,3-hexafluoropropane?
The IUPAC name of 1-(1,2-dibromo-1,2,2-trifluoroethoxy)-1,1,2,3,3,3-hexafluoropropane (CID 89233684) is 1-(1,2-dibromo-1,2,2-trifluoroethoxy)-1,1,2,3,3,3-hexafluoropropane.
What is the SMILES notation for 1-(1,2-dibromo-1,2,2-trifluoroethoxy)-1,1,2,3,3,3-hexafluoropropane?
The canonical SMILES for 1-(1,2-dibromo-1,2,2-trifluoroethoxy)-1,1,2,3,3,3-hexafluoropropane is FC(C(F)(F)F)C(F)(F)OC(F)(Br)C(F)(F)Br.
What is the InChIKey of 1-(1,2-dibromo-1,2,2-trifluoroethoxy)-1,1,2,3,3,3-hexafluoropropane?
The InChIKey is OPSDNQLIUUQOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HBr2F9O/c6-4(14,15)5(7,16)17-3(12,13)1(8)2(9,10)11/h1H.
What are the key properties of 1-(1,2-dibromo-1,2,2-trifluoroethoxy)-1,1,2,3,3,3-hexafluoropropane?
1-(1,2-dibromo-1,2,2-trifluoroethoxy)-1,1,2,3,3,3-hexafluoropropane has a molecular weight of 407.85 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dibromo-1,2,2-trifluoroethoxy)-1,1,2,3,3,3-hexafluoropropane is sourced from PubChem (CID 89233684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).