1-(3-bromo-2-fluoro-4-methoxyphenyl)cyclopropane-1-carboxylic acid

C11H10BrFO3 — CID 117466659

IUPAC1-(3-bromo-2-fluoro-4-methoxyphenyl)cyclopropane-1-carboxylic acid
SMILESCOc1ccc(C2(C(=O)O)CC2)c(F)c1Br
InChIInChI=1S/C11H10BrFO3/c1-16-7-3-2-6(9(13)8(7)12)11(4-5-11)10(14)15/h2-3H,4-5H2,1H3,(H,14,15)
InChIKeyAXBLNOOLXCDWBO-UHFFFAOYSA-N
MW289.10 g/mol
LogP2.71
Rot. Bonds3

About 1-(3-bromo-2-fluoro-4-methoxyphenyl)cyclopropane-1-carboxylic acid

1-(3-bromo-2-fluoro-4-methoxyphenyl)cyclopropane-1-carboxylic acid (PubChem CID 117466659) has the molecular formula C11H10BrFO3 and a molecular weight of 289.10 g/mol. Its IUPAC name is 1-(3-bromo-2-fluoro-4-methoxyphenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-bromo-2-fluoro-4-methoxyphenyl)cyclopropane-1-carboxylic acid
PubChem CID117466659
Molecular FormulaC11H10BrFO3
Molecular Weight289.10 g/mol
Exact Mass287.98
IUPAC Name1-(3-bromo-2-fluoro-4-methoxyphenyl)cyclopropane-1-carboxylic acid
SMILESCOc1ccc(C2(C(=O)O)CC2)c(F)c1Br
InChIInChI=1S/C11H10BrFO3/c1-16-7-3-2-6(9(13)8(7)12)11(4-5-11)10(14)15/h2-3H,4-5H2,1H3,(H,14,15)
InChIKeyAXBLNOOLXCDWBO-UHFFFAOYSA-N
XLogP2.71
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.10
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoro-3-hydroxy-4-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117352800
1-(4-bromo-2-fluoro-3-methylphenyl)cyclopropane-1-carboxylic acid
CID 117434862
1-(3-fluoro-2-methoxy-4-methylphenyl)cyclopropane-1-carboxylic acid
CID 117321558
1-(3-bromo-2-fluoro-4-hydroxyphenyl)cyclobutane-1-carboxylic acid
CID 117466688
1-(2-fluoro-6-hydroxy-3-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 84790848
1-[1-(3-bromo-2-fluoro-4-methoxyphenyl)cyclopropyl]ethanamine
CID 117465009
1-(2-fluoro-3,6-dimethoxyphenyl)cyclobutane-1-carboxylic acid
CID 117388593
1-(2-hydroxy-3,4-dimethoxyphenyl)cyclobutane-1-carboxylic acid
CID 117383426
1-(5-fluoro-2,3-dimethoxyphenyl)cyclopropane-1-carboxylic acid
CID 117352658
1-(4-bromo-2-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 117498389
1-(2-ethoxy-3,4-dimethoxyphenyl)cyclopropane-1-carboxylic acid
CID 117419569
1-(2-fluoro-4-hydroxy-5-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 117324881

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-fluoro-4-methoxyphenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(3-bromo-2-fluoro-4-methoxyphenyl)cyclopropane-1-carboxylic acid (CID 117466659) is 1-(3-bromo-2-fluoro-4-methoxyphenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(3-bromo-2-fluoro-4-methoxyphenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(3-bromo-2-fluoro-4-methoxyphenyl)cyclopropane-1-carboxylic acid is COc1ccc(C2(C(=O)O)CC2)c(F)c1Br.
What is the InChIKey of 1-(3-bromo-2-fluoro-4-methoxyphenyl)cyclopropane-1-carboxylic acid?
The InChIKey is AXBLNOOLXCDWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFO3/c1-16-7-3-2-6(9(13)8(7)12)11(4-5-11)10(14)15/h2-3H,4-5H2,1H3,(H,14,15).
What are the key properties of 1-(3-bromo-2-fluoro-4-methoxyphenyl)cyclopropane-1-carboxylic acid?
1-(3-bromo-2-fluoro-4-methoxyphenyl)cyclopropane-1-carboxylic acid has a molecular weight of 289.10 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-fluoro-4-methoxyphenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 117466659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).