(2-bromo-1,1,2,2-tetrafluoroethyl) hypobromite

C2Br2F4O — CID 87815222

IUPAC(2-bromo-1,1,2,2-tetrafluoroethyl) hypobromite
SMILESFC(F)(Br)C(F)(F)OBr
InChIInChI=1S/C2Br2F4O/c3-1(5,6)2(7,8)9-4
InChIKeySRPYKVRQEGRQPS-UHFFFAOYSA-N
MW275.82 g/mol
LogP2.89
Rot. Bonds2

About (2-bromo-1,1,2,2-tetrafluoroethyl) hypobromite

(2-bromo-1,1,2,2-tetrafluoroethyl) hypobromite (PubChem CID 87815222) has the molecular formula C2Br2F4O and a molecular weight of 275.82 g/mol. Its IUPAC name is (2-bromo-1,1,2,2-tetrafluoroethyl) hypobromite.

Molecular Properties

Compound Name(2-bromo-1,1,2,2-tetrafluoroethyl) hypobromite
PubChem CID87815222
Molecular FormulaC2Br2F4O
Molecular Weight275.82 g/mol
Exact Mass273.83
IUPAC Name(2-bromo-1,1,2,2-tetrafluoroethyl) hypobromite
SMILESFC(F)(Br)C(F)(F)OBr
InChIInChI=1S/C2Br2F4O/c3-1(5,6)2(7,8)9-4
InChIKeySRPYKVRQEGRQPS-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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-bromo-1,1,2,2-tetrafluoroethyl) hypobromite?
The IUPAC name of (2-bromo-1,1,2,2-tetrafluoroethyl) hypobromite (CID 87815222) is (2-bromo-1,1,2,2-tetrafluoroethyl) hypobromite.
What is the SMILES notation for (2-bromo-1,1,2,2-tetrafluoroethyl) hypobromite?
The canonical SMILES for (2-bromo-1,1,2,2-tetrafluoroethyl) hypobromite is FC(F)(Br)C(F)(F)OBr.
What is the InChIKey of (2-bromo-1,1,2,2-tetrafluoroethyl) hypobromite?
The InChIKey is SRPYKVRQEGRQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C2Br2F4O/c3-1(5,6)2(7,8)9-4.
What are the key properties of (2-bromo-1,1,2,2-tetrafluoroethyl) hypobromite?
(2-bromo-1,1,2,2-tetrafluoroethyl) hypobromite 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 (2-bromo-1,1,2,2-tetrafluoroethyl) hypobromite is sourced from PubChem (CID 87815222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).