chloro 2-bromo-2,2-difluoroacetate

C2BrClF2O2 — CID 156698093

IUPACchloro 2-bromo-2,2-difluoroacetate
SMILESO=C(OCl)C(F)(F)Br
InChIInChI=1S/C2BrClF2O2/c3-2(5,6)1(7)8-4
InChIKeyWBMDEOQNUMUYCL-UHFFFAOYSA-N
MW209.37 g/mol
LogP1.67
Rot. Bonds1

About chloro 2-bromo-2,2-difluoroacetate

chloro 2-bromo-2,2-difluoroacetate (PubChem CID 156698093) has the molecular formula C2BrClF2O2 and a molecular weight of 209.37 g/mol. Its IUPAC name is chloro 2-bromo-2,2-difluoroacetate.

Molecular Properties

Compound Namechloro 2-bromo-2,2-difluoroacetate
PubChem CID156698093
Molecular FormulaC2BrClF2O2
Molecular Weight209.37 g/mol
Exact Mass207.87
IUPAC Namechloro 2-bromo-2,2-difluoroacetate
SMILESO=C(OCl)C(F)(F)Br
InChIInChI=1S/C2BrClF2O2/c3-2(5,6)1(7)8-4
InChIKeyWBMDEOQNUMUYCL-UHFFFAOYSA-N
XLogP1.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.37
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 chloro 2-bromo-2,2-difluoroacetate?
The IUPAC name of chloro 2-bromo-2,2-difluoroacetate (CID 156698093) is chloro 2-bromo-2,2-difluoroacetate.
What is the SMILES notation for chloro 2-bromo-2,2-difluoroacetate?
The canonical SMILES for chloro 2-bromo-2,2-difluoroacetate is O=C(OCl)C(F)(F)Br.
What is the InChIKey of chloro 2-bromo-2,2-difluoroacetate?
The InChIKey is WBMDEOQNUMUYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C2BrClF2O2/c3-2(5,6)1(7)8-4.
What are the key properties of chloro 2-bromo-2,2-difluoroacetate?
chloro 2-bromo-2,2-difluoroacetate has a molecular weight of 209.37 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro 2-bromo-2,2-difluoroacetate is sourced from PubChem (CID 156698093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).