2-(3-bromo-2-fluorophenyl)acetic acid

C8H6BrFO2 — CID 26985260

IUPAC2-(3-bromo-2-fluorophenyl)acetic acid
SMILESO=C(O)Cc1cccc(Br)c1F
InChIInChI=1S/C8H6BrFO2/c9-6-3-1-2-5(8(6)10)4-7(11)12/h1-3H,4H2,(H,11,12)
InChIKeyPAWQVTBBRAZDMG-UHFFFAOYSA-N
MW233.04 g/mol
LogP2.22
Rot. Bonds2

About 2-(3-bromo-2-fluorophenyl)acetic acid

2-(3-bromo-2-fluorophenyl)acetic acid (PubChem CID 26985260) has the molecular formula C8H6BrFO2 and a molecular weight of 233.04 g/mol. Its IUPAC name is 2-(3-bromo-2-fluorophenyl)acetic acid.

Molecular Properties

Compound Name2-(3-bromo-2-fluorophenyl)acetic acid
PubChem CID26985260
Molecular FormulaC8H6BrFO2
Molecular Weight233.04 g/mol
Exact Mass231.95
IUPAC Name2-(3-bromo-2-fluorophenyl)acetic acid
SMILESO=C(O)Cc1cccc(Br)c1F
InChIInChI=1S/C8H6BrFO2/c9-6-3-1-2-5(8(6)10)4-7(11)12/h1-3H,4H2,(H,11,12)
InChIKeyPAWQVTBBRAZDMG-UHFFFAOYSA-N
XLogP2.22
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.04
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3-bromo-2-fluorophenyl)butanoic acid
CID 83735555
2-(2-fluoro-3-hydroxyphenyl)acetic acid
CID 23074563
3-(3-bromo-2-fluorophenyl)-2,2-difluoropropanoic acid
CID 165497152
2-(2,3-difluorophenyl)acetic acid;hydrochloride
CID 172702403
2-(3-bromo-2-fluorophenyl)ethanol
CID 59290439
2-(3-bromo-2-sulfanylphenyl)acetic acid
CID 91874099
2-(3-bromo-2-fluorophenyl)-N-pyrimidin-2-ylacetamide
CID 146022541
cyclopropyl 2-(3-bromo-2-fluorophenyl)acetate
CID 175051182
2-(3,5-dibromo-2-fluorophenyl)acetic acid
CID 2773982
(2R)-1-(3-bromo-2-fluorophenyl)propan-2-ol
CID 95757294
2-(3-bromo-2-fluorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide
CID 146022543
3-amino-1-(3-bromo-2-fluorophenyl)propan-1-one
CID 106647099

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-fluorophenyl)acetic acid?
The IUPAC name of 2-(3-bromo-2-fluorophenyl)acetic acid (CID 26985260) is 2-(3-bromo-2-fluorophenyl)acetic acid.
What is the SMILES notation for 2-(3-bromo-2-fluorophenyl)acetic acid?
The canonical SMILES for 2-(3-bromo-2-fluorophenyl)acetic acid is O=C(O)Cc1cccc(Br)c1F.
What is the InChIKey of 2-(3-bromo-2-fluorophenyl)acetic acid?
The InChIKey is PAWQVTBBRAZDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrFO2/c9-6-3-1-2-5(8(6)10)4-7(11)12/h1-3H,4H2,(H,11,12).
What are the key properties of 2-(3-bromo-2-fluorophenyl)acetic acid?
2-(3-bromo-2-fluorophenyl)acetic acid has a molecular weight of 233.04 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-fluorophenyl)acetic acid is sourced from PubChem (CID 26985260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).