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

C10H10BrFO3 — CID 166470648

IUPAC2-(4-bromo-3-fluorophenyl)-3-methoxypropanoic acid
SMILESCOCC(C(=O)O)c1ccc(Br)c(F)c1
InChIInChI=1S/C10H10BrFO3/c1-15-5-7(10(13)14)6-2-3-8(11)9(12)4-6/h2-4,7H,5H2,1H3,(H,13,14)
InChIKeyGUFAVJQFIMGSKK-UHFFFAOYSA-N
MW277.09 g/mol
LogP2.40
Rot. Bonds4

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

2-(4-bromo-3-fluorophenyl)-3-methoxypropanoic acid (PubChem CID 166470648) has the molecular formula C10H10BrFO3 and a molecular weight of 277.09 g/mol. Its IUPAC name is 2-(4-bromo-3-fluorophenyl)-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-(4-bromo-3-fluorophenyl)-3-methoxypropanoic acid
PubChem CID166470648
Molecular FormulaC10H10BrFO3
Molecular Weight277.09 g/mol
Exact Mass275.98
IUPAC Name2-(4-bromo-3-fluorophenyl)-3-methoxypropanoic acid
SMILESCOCC(C(=O)O)c1ccc(Br)c(F)c1
InChIInChI=1S/C10H10BrFO3/c1-15-5-7(10(13)14)6-2-3-8(11)9(12)4-6/h2-4,7H,5H2,1H3,(H,13,14)
InChIKeyGUFAVJQFIMGSKK-UHFFFAOYSA-N
XLogP2.40
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.09
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-3-fluorophenyl)-2-propoxyacetic acid
CID 83224609
4-amino-3-(4-bromo-3-fluorophenyl)butan-2-one
CID 77228789
1-(4-bromo-3-fluorophenyl)-1-methoxypropan-2-one
CID 83224753
3-amino-2-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 82394258
2-[4-(dimethylamino)phenyl]-3-methoxypropanoic acid
CID 58915416
ethyl 2-bromo-2-(4-bromo-3-fluorophenyl)acetate
CID 166470674
methyl 2-(4-bromo-3-fluorophenyl)-2-(methylamino)acetate
CID 81437181
methyl 3-(4-bromo-3-fluorophenyl)-3-chloro-2-oxopropanoate
CID 81440971
4-(dimethylamino)-2-(3-fluoro-4-methoxyphenyl)butanoic acid
CID 112509040
ethyl 3-(4-bromo-3-fluorophenyl)-2-methylbutanoate
CID 67635327
ethyl (3R)-3-amino-3-(4-bromo-3-fluorophenyl)-2-fluoropropanoate
CID 171240248
(3R)-3-acetamido-3-(4-bromo-3-fluorophenyl)propanoic acid
CID 81436558

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-fluorophenyl)-3-methoxypropanoic acid?
The IUPAC name of 2-(4-bromo-3-fluorophenyl)-3-methoxypropanoic acid (CID 166470648) is 2-(4-bromo-3-fluorophenyl)-3-methoxypropanoic acid.
What is the SMILES notation for 2-(4-bromo-3-fluorophenyl)-3-methoxypropanoic acid?
The canonical SMILES for 2-(4-bromo-3-fluorophenyl)-3-methoxypropanoic acid is COCC(C(=O)O)c1ccc(Br)c(F)c1.
What is the InChIKey of 2-(4-bromo-3-fluorophenyl)-3-methoxypropanoic acid?
The InChIKey is GUFAVJQFIMGSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFO3/c1-15-5-7(10(13)14)6-2-3-8(11)9(12)4-6/h2-4,7H,5H2,1H3,(H,13,14).
What are the key properties of 2-(4-bromo-3-fluorophenyl)-3-methoxypropanoic acid?
2-(4-bromo-3-fluorophenyl)-3-methoxypropanoic acid has a molecular weight of 277.09 g/mol, XLogP of 2.40, 4 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)-3-methoxypropanoic acid is sourced from PubChem (CID 166470648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).