2-(2-bromophenoxy)-2-fluoroacetic acid

C8H6BrFO3 — CID 79356837

IUPAC2-(2-bromophenoxy)-2-fluoroacetic acid
SMILESO=C(O)C(F)Oc1ccccc1Br
InChIInChI=1S/C8H6BrFO3/c9-5-3-1-2-4-6(5)13-7(10)8(11)12/h1-4,7H,(H,11,12)
InChIKeyMQLIQYQABMLXQC-UHFFFAOYSA-N
MW249.04 g/mol
LogP2.21
Rot. Bonds3

About 2-(2-bromophenoxy)-2-fluoroacetic acid

2-(2-bromophenoxy)-2-fluoroacetic acid (PubChem CID 79356837) has the molecular formula C8H6BrFO3 and a molecular weight of 249.04 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-2-fluoroacetic acid.

Molecular Properties

Compound Name2-(2-bromophenoxy)-2-fluoroacetic acid
PubChem CID79356837
Molecular FormulaC8H6BrFO3
Molecular Weight249.04 g/mol
Exact Mass247.95
IUPAC Name2-(2-bromophenoxy)-2-fluoroacetic acid
SMILESO=C(O)C(F)Oc1ccccc1Br
InChIInChI=1S/C8H6BrFO3/c9-5-3-1-2-4-6(5)13-7(10)8(11)12/h1-4,7H,(H,11,12)
InChIKeyMQLIQYQABMLXQC-UHFFFAOYSA-N
XLogP2.21
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.04
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenoxy)-2-fluoroacetic acid
CID 79356644
2-(2-bromophenoxy)butanoic acid
CID 18786119
2-(2,3-dichlorophenoxy)-2-fluoroacetic acid
CID 79356464
(3S)-3-(2-bromophenoxy)butanoic acid
CID 71742862
2-(3-bromophenoxy)-2-fluoroacetic acid
CID 79357675
4-(2-bromophenoxy)pentan-2-one
CID 64698957
2-[2-(2-bromophenoxy)propanoylamino]-3-methylbutanoic acid
CID 119170475
(2R)-2-[2-(2-bromophenoxy)propanoylamino]-3-methylbutanoic acid
CID 119368498
(2S)-2-(2-bromophenoxy)-N-phenylpropanamide
CID 7394881
2-(3-chloro-2-cyanophenoxy)-2-fluoroacetic acid
CID 114322405
2-[2-(2-bromophenoxy)propanoylamino]butanoic acid
CID 119224224
2-[2-(1,3-benzothiazol-2-yl)phenoxy]-2-fluoroacetic acid
CID 79357409

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-2-fluoroacetic acid?
The IUPAC name of 2-(2-bromophenoxy)-2-fluoroacetic acid (CID 79356837) is 2-(2-bromophenoxy)-2-fluoroacetic acid.
What is the SMILES notation for 2-(2-bromophenoxy)-2-fluoroacetic acid?
The canonical SMILES for 2-(2-bromophenoxy)-2-fluoroacetic acid is O=C(O)C(F)Oc1ccccc1Br.
What is the InChIKey of 2-(2-bromophenoxy)-2-fluoroacetic acid?
The InChIKey is MQLIQYQABMLXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrFO3/c9-5-3-1-2-4-6(5)13-7(10)8(11)12/h1-4,7H,(H,11,12).
What are the key properties of 2-(2-bromophenoxy)-2-fluoroacetic acid?
2-(2-bromophenoxy)-2-fluoroacetic acid has a molecular weight of 249.04 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenoxy)-2-fluoroacetic acid is sourced from PubChem (CID 79356837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).