(1,2-dibromo-1,2,2-trifluoroethyl) hypofluorite

C2Br2F4O — CID 59812356

IUPAC(1,2-dibromo-1,2,2-trifluoroethyl) hypofluorite
SMILESFOC(F)(Br)C(F)(F)Br
InChIInChI=1S/C2Br2F4O/c3-1(5,6)2(4,7)9-8
InChIKeyZUIXXGDKIAAQLW-UHFFFAOYSA-N
MW275.82 g/mol
LogP2.89
Rot. Bonds2

About (1,2-dibromo-1,2,2-trifluoroethyl) hypofluorite

(1,2-dibromo-1,2,2-trifluoroethyl) hypofluorite (PubChem CID 59812356) has the molecular formula C2Br2F4O and a molecular weight of 275.82 g/mol. Its IUPAC name is (1,2-dibromo-1,2,2-trifluoroethyl) hypofluorite.

Molecular Properties

Compound Name(1,2-dibromo-1,2,2-trifluoroethyl) hypofluorite
PubChem CID59812356
Molecular FormulaC2Br2F4O
Molecular Weight275.82 g/mol
Exact Mass273.83
IUPAC Name(1,2-dibromo-1,2,2-trifluoroethyl) hypofluorite
SMILESFOC(F)(Br)C(F)(F)Br
InChIInChI=1S/C2Br2F4O/c3-1(5,6)2(4,7)9-8
InChIKeyZUIXXGDKIAAQLW-UHFFFAOYSA-N
XLogP2.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.82
LogP ≤ 52.89
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 (1,2-dibromo-1,2,2-trifluoroethyl) hypofluorite?
The IUPAC name of (1,2-dibromo-1,2,2-trifluoroethyl) hypofluorite (CID 59812356) is (1,2-dibromo-1,2,2-trifluoroethyl) hypofluorite.
What is the SMILES notation for (1,2-dibromo-1,2,2-trifluoroethyl) hypofluorite?
The canonical SMILES for (1,2-dibromo-1,2,2-trifluoroethyl) hypofluorite is FOC(F)(Br)C(F)(F)Br.
What is the InChIKey of (1,2-dibromo-1,2,2-trifluoroethyl) hypofluorite?
The InChIKey is ZUIXXGDKIAAQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C2Br2F4O/c3-1(5,6)2(4,7)9-8.
What are the key properties of (1,2-dibromo-1,2,2-trifluoroethyl) hypofluorite?
(1,2-dibromo-1,2,2-trifluoroethyl) hypofluorite has a molecular weight of 275.82 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-dibromo-1,2,2-trifluoroethyl) hypofluorite is sourced from PubChem (CID 59812356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).