2-(3-bromo-4-fluorophenoxy)acetic acid

C8H6BrFO3 — CID 83231542

IUPAC2-(3-bromo-4-fluorophenoxy)acetic acid
SMILESO=C(O)COc1ccc(F)c(Br)c1
InChIInChI=1S/C8H6BrFO3/c9-6-3-5(1-2-7(6)10)13-4-8(11)12/h1-3H,4H2,(H,11,12)
InChIKeyPTNCIAMWUFOPOG-UHFFFAOYSA-N
MW249.03 g/mol
LogP2.05
Rot. Bonds3

About 2-(3-bromo-4-fluorophenoxy)acetic acid

2-(3-bromo-4-fluorophenoxy)acetic acid (PubChem CID 83231542) has the molecular formula C8H6BrFO3 and a molecular weight of 249.03 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenoxy)acetic acid.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenoxy)acetic acid
PubChem CID83231542
Molecular FormulaC8H6BrFO3
Molecular Weight249.03 g/mol
Exact Mass247.95
IUPAC Name2-(3-bromo-4-fluorophenoxy)acetic acid
SMILESO=C(O)COc1ccc(F)c(Br)c1
InChIInChI=1S/C8H6BrFO3/c9-6-3-5(1-2-7(6)10)13-4-8(11)12/h1-3H,4H2,(H,11,12)
InChIKeyPTNCIAMWUFOPOG-UHFFFAOYSA-N
XLogP2.05
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.03
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(Z)-4-(3-bromo-4-fluorophenoxy)-3-methylbut-2-enoic acid
CID 83233156
2-(3-bromo-4-fluorophenoxy)-1-(4-bromophenyl)ethanone
CID 83234474
2-bromo-4-(2-chloroprop-2-enoxy)-1-fluorobenzene
CID 83231625
2-(3-bromo-4-fluorophenoxy)-1-pyrrolidin-1-ylethanone
CID 83235326
1-(3-bromo-4-fluorophenoxy)-3-(4-fluorophenyl)propan-2-one
CID 83234141
2-(2-fluoro-5-methoxyphenoxy)acetic acid
CID 84669223
2-(3-bromo-4-chloro-5-fluorophenoxy)acetic acid
CID 163279434
2-(4-bromo-3-chlorophenoxy)acetic acid
CID 22633682
2-(4-fluoro-3-propan-2-ylphenoxy)acetic acid
CID 126565610
2-(3-bromo-4-fluorophenoxy)-1-(3,4-dimethylphenyl)ethanone
CID 83234637
ethane;2-(3-fluoro-4-methylphenoxy)acetic acid
CID 155714293
2-(4-bromo-3-ethylphenoxy)acetic acid
CID 14207512

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenoxy)acetic acid?
The IUPAC name of 2-(3-bromo-4-fluorophenoxy)acetic acid (CID 83231542) is 2-(3-bromo-4-fluorophenoxy)acetic acid.
What is the SMILES notation for 2-(3-bromo-4-fluorophenoxy)acetic acid?
The canonical SMILES for 2-(3-bromo-4-fluorophenoxy)acetic acid is O=C(O)COc1ccc(F)c(Br)c1.
What is the InChIKey of 2-(3-bromo-4-fluorophenoxy)acetic acid?
The InChIKey is PTNCIAMWUFOPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrFO3/c9-6-3-5(1-2-7(6)10)13-4-8(11)12/h1-3H,4H2,(H,11,12).
What are the key properties of 2-(3-bromo-4-fluorophenoxy)acetic acid?
2-(3-bromo-4-fluorophenoxy)acetic acid has a molecular weight of 249.03 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluorophenoxy)acetic acid is sourced from PubChem (CID 83231542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).