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

C2BrF5O — CID 19096949

IUPAC(1-bromo-1,2,2,2-tetrafluoroethyl) hypofluorite
SMILESFOC(F)(Br)C(F)(F)F
InChIInChI=1S/C2BrF5O/c3-1(4,9-8)2(5,6)7
InChIKeyOZPLXJNESFKVNB-UHFFFAOYSA-N
MW214.91 g/mol
LogP2.47
Rot. Bonds1

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

(1-bromo-1,2,2,2-tetrafluoroethyl) hypofluorite (PubChem CID 19096949) has the molecular formula C2BrF5O and a molecular weight of 214.91 g/mol. Its IUPAC name is (1-bromo-1,2,2,2-tetrafluoroethyl) hypofluorite.

Molecular Properties

Compound Name(1-bromo-1,2,2,2-tetrafluoroethyl) hypofluorite
PubChem CID19096949
Molecular FormulaC2BrF5O
Molecular Weight214.91 g/mol
Exact Mass213.91
IUPAC Name(1-bromo-1,2,2,2-tetrafluoroethyl) hypofluorite
SMILESFOC(F)(Br)C(F)(F)F
InChIInChI=1S/C2BrF5O/c3-1(4,9-8)2(5,6)7
InChIKeyOZPLXJNESFKVNB-UHFFFAOYSA-N
XLogP2.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.91
LogP ≤ 52.47
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-bromo-1,2,2,2-tetrafluoroethyl) hypofluorite?
The IUPAC name of (1-bromo-1,2,2,2-tetrafluoroethyl) hypofluorite (CID 19096949) is (1-bromo-1,2,2,2-tetrafluoroethyl) hypofluorite.
What is the SMILES notation for (1-bromo-1,2,2,2-tetrafluoroethyl) hypofluorite?
The canonical SMILES for (1-bromo-1,2,2,2-tetrafluoroethyl) hypofluorite is FOC(F)(Br)C(F)(F)F.
What is the InChIKey of (1-bromo-1,2,2,2-tetrafluoroethyl) hypofluorite?
The InChIKey is OZPLXJNESFKVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C2BrF5O/c3-1(4,9-8)2(5,6)7.
What are the key properties of (1-bromo-1,2,2,2-tetrafluoroethyl) hypofluorite?
(1-bromo-1,2,2,2-tetrafluoroethyl) hypofluorite has a molecular weight of 214.91 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-bromo-1,2,2,2-tetrafluoroethyl) hypofluorite is sourced from PubChem (CID 19096949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).