2-(4-bromo-3-fluorophenyl)-2-propoxyacetic acid

C11H12BrFO3 — CID 83224609

IUPAC2-(4-bromo-3-fluorophenyl)-2-propoxyacetic acid
SMILESCCCOC(C(=O)O)c1ccc(Br)c(F)c1
InChIInChI=1S/C11H12BrFO3/c1-2-5-16-10(11(14)15)7-3-4-8(12)9(13)6-7/h3-4,6,10H,2,5H2,1H3,(H,14,15)
InChIKeyKRJSHOPLPIBMMH-UHFFFAOYSA-N
MW291.12 g/mol
LogP3.14
Rot. Bonds5

About 2-(4-bromo-3-fluorophenyl)-2-propoxyacetic acid

2-(4-bromo-3-fluorophenyl)-2-propoxyacetic acid (PubChem CID 83224609) has the molecular formula C11H12BrFO3 and a molecular weight of 291.12 g/mol. Its IUPAC name is 2-(4-bromo-3-fluorophenyl)-2-propoxyacetic acid.

Molecular Properties

Compound Name2-(4-bromo-3-fluorophenyl)-2-propoxyacetic acid
PubChem CID83224609
Molecular FormulaC11H12BrFO3
Molecular Weight291.12 g/mol
Exact Mass290.00
IUPAC Name2-(4-bromo-3-fluorophenyl)-2-propoxyacetic acid
SMILESCCCOC(C(=O)O)c1ccc(Br)c(F)c1
InChIInChI=1S/C11H12BrFO3/c1-2-5-16-10(11(14)15)7-3-4-8(12)9(13)6-7/h3-4,6,10H,2,5H2,1H3,(H,14,15)
InChIKeyKRJSHOPLPIBMMH-UHFFFAOYSA-N
XLogP3.14
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.12
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-bromo-3-fluorophenyl)-2-propoxyacetic 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-fluorophenyl)-2-propoxyacetic acid
CID 83224812
1-(3-bromo-4-fluorophenyl)-1-propoxybutan-2-one
CID 83225505
2-(4-bromo-3-fluorophenyl)-3-methoxypropanoic acid
CID 166470648
2-(3-bromo-4-methylphenyl)-2-(2-hydroxyethoxy)acetic acid
CID 103377667
ethyl 2-bromo-2-(4-bromo-3-fluorophenyl)acetate
CID 166470674
1-(4-bromo-3-fluorophenyl)-1-methoxypropan-2-one
CID 83224753
2-(4-methoxyphenyl)-2-propoxyacetic acid
CID 83223962
ethyl 3-(4-bromo-3-fluorophenyl)-2-methylbutanoate
CID 67635327
ethyl (3R)-3-amino-3-(4-bromo-3-fluorophenyl)-2-fluoropropanoate
CID 171240248
2-(3-ethoxyphenyl)-2-propoxyacetic acid
CID 83224813
2-(2-bromo-4,5-dimethoxyphenyl)-2-propoxyacetic acid
CID 83223781
2-(3-chloro-4-fluorophenyl)-2-ethoxyacetic acid
CID 83224808

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-fluorophenyl)-2-propoxyacetic acid?
The IUPAC name of 2-(4-bromo-3-fluorophenyl)-2-propoxyacetic acid (CID 83224609) is 2-(4-bromo-3-fluorophenyl)-2-propoxyacetic acid.
What is the SMILES notation for 2-(4-bromo-3-fluorophenyl)-2-propoxyacetic acid?
The canonical SMILES for 2-(4-bromo-3-fluorophenyl)-2-propoxyacetic acid is CCCOC(C(=O)O)c1ccc(Br)c(F)c1.
What is the InChIKey of 2-(4-bromo-3-fluorophenyl)-2-propoxyacetic acid?
The InChIKey is KRJSHOPLPIBMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFO3/c1-2-5-16-10(11(14)15)7-3-4-8(12)9(13)6-7/h3-4,6,10H,2,5H2,1H3,(H,14,15).
What are the key properties of 2-(4-bromo-3-fluorophenyl)-2-propoxyacetic acid?
2-(4-bromo-3-fluorophenyl)-2-propoxyacetic acid has a molecular weight of 291.12 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-fluorophenyl)-2-propoxyacetic acid is sourced from PubChem (CID 83224609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).