3-(3-bromo-2-fluorophenyl)-2,2-difluoropropanoic acid

C9H6BrF3O2 — CID 165497152

IUPAC3-(3-bromo-2-fluorophenyl)-2,2-difluoropropanoic acid
SMILESO=C(O)C(F)(F)Cc1cccc(Br)c1F
InChIInChI=1S/C9H6BrF3O2/c10-6-3-1-2-5(7(6)11)4-9(12,13)8(14)15/h1-3H,4H2,(H,14,15)
InChIKeyRYBRDUUVVGANIS-UHFFFAOYSA-N
MW283.04 g/mol
LogP2.85
Rot. Bonds3

About 3-(3-bromo-2-fluorophenyl)-2,2-difluoropropanoic acid

3-(3-bromo-2-fluorophenyl)-2,2-difluoropropanoic acid (PubChem CID 165497152) has the molecular formula C9H6BrF3O2 and a molecular weight of 283.04 g/mol. Its IUPAC name is 3-(3-bromo-2-fluorophenyl)-2,2-difluoropropanoic acid.

Molecular Properties

Compound Name3-(3-bromo-2-fluorophenyl)-2,2-difluoropropanoic acid
PubChem CID165497152
Molecular FormulaC9H6BrF3O2
Molecular Weight283.04 g/mol
Exact Mass281.95
IUPAC Name3-(3-bromo-2-fluorophenyl)-2,2-difluoropropanoic acid
SMILESO=C(O)C(F)(F)Cc1cccc(Br)c1F
InChIInChI=1S/C9H6BrF3O2/c10-6-3-1-2-5(7(6)11)4-9(12,13)8(14)15/h1-3H,4H2,(H,14,15)
InChIKeyRYBRDUUVVGANIS-UHFFFAOYSA-N
XLogP2.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.04
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(3-bromo-2-fluorophenyl)-2,2-difluoropropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-bromo-2-fluorophenyl)acetic acid
CID 26985260
3-(2-chloro-3-fluorophenyl)-2,2-difluoropropanoic acid
CID 162738183
4-(3-bromo-2-fluorophenyl)butanoic acid
CID 83735555
2-(3-bromo-2-fluorophenyl)ethanol
CID 59290439
cyclopropyl 2-(3-bromo-2-fluorophenyl)acetate
CID 175051182
2-(3-bromo-2-fluorophenyl)-N-pyrimidin-2-ylacetamide
CID 146022541
1-(3-bromo-2-fluorophenyl)-4,4,4-trifluorobutan-1-one
CID 89480353
2,2-difluoro-3-phenylpropanoic acid
CID 69365338
3-(2,5-difluorophenyl)-2,2-difluoropropanoic acid
CID 116838238
3-(3-bromothiophen-2-yl)-2,2-difluoropropanoic acid
CID 165463784
(2R)-1-(3-bromo-2-fluorophenyl)propan-2-ol
CID 95757294
1-[3-bromo-2-(trifluoromethyl)phenyl]-3-chloropropan-2-one
CID 134615525

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-2-fluorophenyl)-2,2-difluoropropanoic acid?
The IUPAC name of 3-(3-bromo-2-fluorophenyl)-2,2-difluoropropanoic acid (CID 165497152) is 3-(3-bromo-2-fluorophenyl)-2,2-difluoropropanoic acid.
What is the SMILES notation for 3-(3-bromo-2-fluorophenyl)-2,2-difluoropropanoic acid?
The canonical SMILES for 3-(3-bromo-2-fluorophenyl)-2,2-difluoropropanoic acid is O=C(O)C(F)(F)Cc1cccc(Br)c1F.
What is the InChIKey of 3-(3-bromo-2-fluorophenyl)-2,2-difluoropropanoic acid?
The InChIKey is RYBRDUUVVGANIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrF3O2/c10-6-3-1-2-5(7(6)11)4-9(12,13)8(14)15/h1-3H,4H2,(H,14,15).
What are the key properties of 3-(3-bromo-2-fluorophenyl)-2,2-difluoropropanoic acid?
3-(3-bromo-2-fluorophenyl)-2,2-difluoropropanoic acid has a molecular weight of 283.04 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-2-fluorophenyl)-2,2-difluoropropanoic acid is sourced from PubChem (CID 165497152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).