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

C11H10BrFO2 — CID 117434862

IUPAC1-(4-bromo-2-fluoro-3-methylphenyl)cyclopropane-1-carboxylic acid
SMILESCc1c(Br)ccc(C2(C(=O)O)CC2)c1F
InChIInChI=1S/C11H10BrFO2/c1-6-8(12)3-2-7(9(6)13)11(4-5-11)10(14)15/h2-3H,4-5H2,1H3,(H,14,15)
InChIKeyLFMLTGPMTOBUKK-UHFFFAOYSA-N
MW273.10 g/mol
LogP3.01
Rot. Bonds2

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

1-(4-bromo-2-fluoro-3-methylphenyl)cyclopropane-1-carboxylic acid (PubChem CID 117434862) has the molecular formula C11H10BrFO2 and a molecular weight of 273.10 g/mol. Its IUPAC name is 1-(4-bromo-2-fluoro-3-methylphenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(4-bromo-2-fluoro-3-methylphenyl)cyclopropane-1-carboxylic acid
PubChem CID117434862
Molecular FormulaC11H10BrFO2
Molecular Weight273.10 g/mol
Exact Mass271.98
IUPAC Name1-(4-bromo-2-fluoro-3-methylphenyl)cyclopropane-1-carboxylic acid
SMILESCc1c(Br)ccc(C2(C(=O)O)CC2)c1F
InChIInChI=1S/C11H10BrFO2/c1-6-8(12)3-2-7(9(6)13)11(4-5-11)10(14)15/h2-3H,4-5H2,1H3,(H,14,15)
InChIKeyLFMLTGPMTOBUKK-UHFFFAOYSA-N
XLogP3.01
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.10
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[1-(4-bromo-2-fluoro-3-methylphenyl)cyclopropyl]acetic acid
CID 117462835
1-(3-fluoro-2-hydroxy-4-methylphenyl)cyclopropane-1-carboxylic acid
CID 117299936
1-(2-fluoro-4-hydroxy-3-methylsulfonylphenyl)cyclopropane-1-carboxylic acid
CID 117437970
1-(3-bromo-2-fluoro-4-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 117466659
1-(3-fluoro-2-hydroxy-4-methylsulfonylphenyl)cyclopropane-1-carboxylic acid
CID 117437969
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-bromo-4,5-difluorophenyl)cyclopropane-1-carboxylic acid
CID 117443504
1-(2-fluoro-4-hydroxy-3-methylsulfonylphenyl)cyclobutane-1-carboxylic acid
CID 117465574
1-(3-bromo-5-fluoro-2-methylphenyl)cyclobutane-1-carboxylic acid
CID 117462812
1-bromo-3-fluoro-4-(1-isocyanatocyclobutyl)-2-methylbenzene
CID 117456757
1-(3-bromo-2,6-difluoro-5-methylphenyl)cyclopropane-1-carboxylic acid
CID 117469962

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluoro-3-methylphenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(4-bromo-2-fluoro-3-methylphenyl)cyclopropane-1-carboxylic acid (CID 117434862) is 1-(4-bromo-2-fluoro-3-methylphenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(4-bromo-2-fluoro-3-methylphenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(4-bromo-2-fluoro-3-methylphenyl)cyclopropane-1-carboxylic acid is Cc1c(Br)ccc(C2(C(=O)O)CC2)c1F.
What is the InChIKey of 1-(4-bromo-2-fluoro-3-methylphenyl)cyclopropane-1-carboxylic acid?
The InChIKey is LFMLTGPMTOBUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFO2/c1-6-8(12)3-2-7(9(6)13)11(4-5-11)10(14)15/h2-3H,4-5H2,1H3,(H,14,15).
What are the key properties of 1-(4-bromo-2-fluoro-3-methylphenyl)cyclopropane-1-carboxylic acid?
1-(4-bromo-2-fluoro-3-methylphenyl)cyclopropane-1-carboxylic acid has a molecular weight of 273.10 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluoro-3-methylphenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 117434862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).