fluoro 2-(6-bromo-2-pyridinyl)-2,2-difluoroacetate

C7H3BrF3NO2 — CID 23467927

IUPACfluoro 2-(6-bromo-2-pyridinyl)-2,2-difluoroacetate
SMILESO=C(OF)C(F)(F)c1cccc(Br)n1
InChIInChI=1S/C7H3BrF3NO2/c8-5-3-1-2-4(12-5)7(9,10)6(13)14-11/h1-3H
InChIKeyRRANRBNXJUTYLC-UHFFFAOYSA-N
MW270.00 g/mol
LogP2.36
Rot. Bonds2

About fluoro 2-(6-bromo-2-pyridinyl)-2,2-difluoroacetate

fluoro 2-(6-bromo-2-pyridinyl)-2,2-difluoroacetate (PubChem CID 23467927) has the molecular formula C7H3BrF3NO2 and a molecular weight of 270.00 g/mol. Its IUPAC name is fluoro 2-(6-bromo-2-pyridinyl)-2,2-difluoroacetate.

Molecular Properties

Compound Namefluoro 2-(6-bromo-2-pyridinyl)-2,2-difluoroacetate
PubChem CID23467927
Molecular FormulaC7H3BrF3NO2
Molecular Weight270.00 g/mol
Exact Mass268.93
IUPAC Namefluoro 2-(6-bromo-2-pyridinyl)-2,2-difluoroacetate
SMILESO=C(OF)C(F)(F)c1cccc(Br)n1
InChIInChI=1S/C7H3BrF3NO2/c8-5-3-1-2-4(12-5)7(9,10)6(13)14-11/h1-3H
InChIKeyRRANRBNXJUTYLC-UHFFFAOYSA-N
XLogP2.36
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.00
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of fluoro 2-(6-bromo-2-pyridinyl)-2,2-difluoroacetate?
The IUPAC name of fluoro 2-(6-bromo-2-pyridinyl)-2,2-difluoroacetate (CID 23467927) is fluoro 2-(6-bromo-2-pyridinyl)-2,2-difluoroacetate.
What is the SMILES notation for fluoro 2-(6-bromo-2-pyridinyl)-2,2-difluoroacetate?
The canonical SMILES for fluoro 2-(6-bromo-2-pyridinyl)-2,2-difluoroacetate is O=C(OF)C(F)(F)c1cccc(Br)n1.
What is the InChIKey of fluoro 2-(6-bromo-2-pyridinyl)-2,2-difluoroacetate?
The InChIKey is RRANRBNXJUTYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrF3NO2/c8-5-3-1-2-4(12-5)7(9,10)6(13)14-11/h1-3H.
What are the key properties of fluoro 2-(6-bromo-2-pyridinyl)-2,2-difluoroacetate?
fluoro 2-(6-bromo-2-pyridinyl)-2,2-difluoroacetate has a molecular weight of 270.00 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 2-(6-bromo-2-pyridinyl)-2,2-difluoroacetate is sourced from PubChem (CID 23467927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).