2-[1-(4-bromo-2-fluoro-3-methylphenyl)cyclopropyl]acetic acid

C12H12BrFO2 — CID 117462835

IUPAC2-[1-(4-bromo-2-fluoro-3-methylphenyl)cyclopropyl]acetic acid
SMILESCc1c(Br)ccc(C2(CC(=O)O)CC2)c1F
InChIInChI=1S/C12H12BrFO2/c1-7-9(13)3-2-8(11(7)14)12(4-5-12)6-10(15)16/h2-3H,4-6H2,1H3,(H,15,16)
InChIKeyIKPSHZRFECISDV-UHFFFAOYSA-N
MW287.13 g/mol
LogP3.40
Rot. Bonds3

About 2-[1-(4-bromo-2-fluoro-3-methylphenyl)cyclopropyl]acetic acid

2-[1-(4-bromo-2-fluoro-3-methylphenyl)cyclopropyl]acetic acid (PubChem CID 117462835) has the molecular formula C12H12BrFO2 and a molecular weight of 287.13 g/mol. Its IUPAC name is 2-[1-(4-bromo-2-fluoro-3-methylphenyl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-(4-bromo-2-fluoro-3-methylphenyl)cyclopropyl]acetic acid
PubChem CID117462835
Molecular FormulaC12H12BrFO2
Molecular Weight287.13 g/mol
Exact Mass286.00
IUPAC Name2-[1-(4-bromo-2-fluoro-3-methylphenyl)cyclopropyl]acetic acid
SMILESCc1c(Br)ccc(C2(CC(=O)O)CC2)c1F
InChIInChI=1S/C12H12BrFO2/c1-7-9(13)3-2-8(11(7)14)12(4-5-12)6-10(15)16/h2-3H,4-6H2,1H3,(H,15,16)
InChIKeyIKPSHZRFECISDV-UHFFFAOYSA-N
XLogP3.40
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.13
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-2-fluoro-3-methylphenyl)cyclopropane-1-carboxylic acid
CID 117434862
2-[1-(7-fluoro-1H-indol-6-yl)cyclopropyl]acetic acid
CID 117337745
2-[1-(5-bromo-2,4-dimethylphenyl)cyclopropyl]acetic acid
CID 84812580
2-[1-(2,3-dimethylphenyl)cyclopropyl]acetic acid
CID 84777910
2-[1-(5-fluoro-2-methylphenyl)cyclopropyl]acetic acid
CID 84780127
2-[1-(2-fluoro-3-methoxyphenyl)cyclopropyl]acetic acid
CID 84789631
2-[1-(3-fluoro-4-hydroxy-2-methoxyphenyl)cyclopropyl]acetic acid
CID 84800393
2-[1-(2-bromo-5-hydroxyphenyl)cyclopropyl]acetic acid
CID 84809237
2-[1-(7-bromo-1,3-benzodioxol-4-yl)cyclopropyl]acetic acid
CID 117481526
2-[1-(2-fluorophenyl)cyclopropyl]acetic acid
CID 82075914
2-[1-(4-fluoro-2,5-dimethylphenyl)cyclopropyl]acetic acid
CID 84788583
2-[1-(4-bromo-3-methylphenyl)cyclopropyl]acetic acid
CID 84808527

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromo-2-fluoro-3-methylphenyl)cyclopropyl]acetic acid?
The IUPAC name of 2-[1-(4-bromo-2-fluoro-3-methylphenyl)cyclopropyl]acetic acid (CID 117462835) is 2-[1-(4-bromo-2-fluoro-3-methylphenyl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-(4-bromo-2-fluoro-3-methylphenyl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-(4-bromo-2-fluoro-3-methylphenyl)cyclopropyl]acetic acid is Cc1c(Br)ccc(C2(CC(=O)O)CC2)c1F.
What is the InChIKey of 2-[1-(4-bromo-2-fluoro-3-methylphenyl)cyclopropyl]acetic acid?
The InChIKey is IKPSHZRFECISDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFO2/c1-7-9(13)3-2-8(11(7)14)12(4-5-12)6-10(15)16/h2-3H,4-6H2,1H3,(H,15,16).
What are the key properties of 2-[1-(4-bromo-2-fluoro-3-methylphenyl)cyclopropyl]acetic acid?
2-[1-(4-bromo-2-fluoro-3-methylphenyl)cyclopropyl]acetic acid has a molecular weight of 287.13 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-bromo-2-fluoro-3-methylphenyl)cyclopropyl]acetic acid is sourced from PubChem (CID 117462835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).