2-(3-bromophenoxy)-2,2-difluoroacetate

C8H4BrF2O3- — CID 162451073

IUPAC2-(3-bromophenoxy)-2,2-difluoroacetate
SMILESO=C([O-])C(F)(F)Oc1cccc(Br)c1
InChIInChI=1S/C8H5BrF2O3/c9-5-2-1-3-6(4-5)14-8(10,11)7(12)13/h1-4H,(H,12,13)/p-1
InChIKeyGPAWQNMGRFDYSO-UHFFFAOYSA-M
MW266.02 g/mol
LogP1.17
Rot. Bonds3

About 2-(3-bromophenoxy)-2,2-difluoroacetate

2-(3-bromophenoxy)-2,2-difluoroacetate (PubChem CID 162451073) has the molecular formula C8H4BrF2O3- and a molecular weight of 266.02 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-2,2-difluoroacetate.

Molecular Properties

Compound Name2-(3-bromophenoxy)-2,2-difluoroacetate
PubChem CID162451073
Molecular FormulaC8H4BrF2O3-
Molecular Weight266.02 g/mol
Exact Mass264.93
IUPAC Name2-(3-bromophenoxy)-2,2-difluoroacetate
SMILESO=C([O-])C(F)(F)Oc1cccc(Br)c1
InChIInChI=1S/C8H5BrF2O3/c9-5-2-1-3-6(4-5)14-8(10,11)7(12)13/h1-4H,(H,12,13)/p-1
InChIKeyGPAWQNMGRFDYSO-UHFFFAOYSA-M
XLogP1.17
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.02
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-difluoro-2-(3-fluorophenoxy)acetate
CID 162451015
bis[3-(trifluoromethoxy)phenyl]methanone;1-bromo-3-(trifluoromethoxy)benzene;methane
CID 159656585
sodium 2-(3-bromophenoxy)acetate
CID 19205570
2-(2,6-dimethylphenoxy)-2,2-difluoroacetate
CID 164747707
2-(3-bromophenoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 79876585
2-(3-bromophenoxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonic acid
CID 159924139
2-(5,5-dioxodibenzothiophen-2-yl)oxy-2,2-difluoroacetate
CID 162450917
2-(3-bromophenoxy)-2,4,4-trimethylpentanoic acid
CID 70024558
1-bromo-3-(2-methylbut-3-yn-2-yloxy)benzene
CID 123898528
2-(3-bromophenoxy)-2-fluoroacetic acid
CID 79357675
(2R)-2-(3-bromophenoxy)-2-phenylacetic acid
CID 42181032
(3-bromophenyl) 2-hydroxyacetate
CID 130732790

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-2,2-difluoroacetate?
The IUPAC name of 2-(3-bromophenoxy)-2,2-difluoroacetate (CID 162451073) is 2-(3-bromophenoxy)-2,2-difluoroacetate.
What is the SMILES notation for 2-(3-bromophenoxy)-2,2-difluoroacetate?
The canonical SMILES for 2-(3-bromophenoxy)-2,2-difluoroacetate is O=C([O-])C(F)(F)Oc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenoxy)-2,2-difluoroacetate?
The InChIKey is GPAWQNMGRFDYSO-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H5BrF2O3/c9-5-2-1-3-6(4-5)14-8(10,11)7(12)13/h1-4H,(H,12,13)/p-1.
What are the key properties of 2-(3-bromophenoxy)-2,2-difluoroacetate?
2-(3-bromophenoxy)-2,2-difluoroacetate has a molecular weight of 266.02 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-2,2-difluoroacetate is sourced from PubChem (CID 162451073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).