2-[1-(4-fluoro-2,5-dimethylphenyl)cyclopropyl]acetic acid

C13H15FO2 — CID 84788583

IUPAC2-[1-(4-fluoro-2,5-dimethylphenyl)cyclopropyl]acetic acid
SMILESCc1cc(C2(CC(=O)O)CC2)c(C)cc1F
InChIInChI=1S/C13H15FO2/c1-8-6-11(14)9(2)5-10(8)13(3-4-13)7-12(15)16/h5-6H,3-4,7H2,1-2H3,(H,15,16)
InChIKeyHHCJGGPUFPRVIC-UHFFFAOYSA-N
MW222.26 g/mol
LogP2.95
Rot. Bonds3

About 2-[1-(4-fluoro-2,5-dimethylphenyl)cyclopropyl]acetic acid

2-[1-(4-fluoro-2,5-dimethylphenyl)cyclopropyl]acetic acid (PubChem CID 84788583) has the molecular formula C13H15FO2 and a molecular weight of 222.26 g/mol. Its IUPAC name is 2-[1-(4-fluoro-2,5-dimethylphenyl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-(4-fluoro-2,5-dimethylphenyl)cyclopropyl]acetic acid
PubChem CID84788583
Molecular FormulaC13H15FO2
Molecular Weight222.26 g/mol
Exact Mass222.11
IUPAC Name2-[1-(4-fluoro-2,5-dimethylphenyl)cyclopropyl]acetic acid
SMILESCc1cc(C2(CC(=O)O)CC2)c(C)cc1F
InChIInChI=1S/C13H15FO2/c1-8-6-11(14)9(2)5-10(8)13(3-4-13)7-12(15)16/h5-6H,3-4,7H2,1-2H3,(H,15,16)
InChIKeyHHCJGGPUFPRVIC-UHFFFAOYSA-N
XLogP2.95
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[1-(5-fluoro-2-methylphenyl)cyclopropyl]acetic acid
CID 84780127
2-[1-(5-bromo-2,4-dimethylphenyl)cyclopropyl]acetic acid
CID 84812580
2-[1-(4-chloro-2-methylphenyl)cyclopropyl]acetic acid
CID 84789847
2-[1-(2,5-difluoro-4-methylsulfonylphenyl)cyclopropyl]acetic acid
CID 117468856
2-[1-(2,5-difluoro-4-methylsulfanylphenyl)cyclopropyl]acetic acid
CID 117399174
2-[1-(2-chloro-3,5-dimethylphenyl)cyclopropyl]acetic acid
CID 84799380
2-[1-(2-fluorophenyl)cyclopropyl]acetic acid
CID 82075914
2-[1-(2,4-dimethylphenyl)cyclopentyl]acetic acid
CID 82082492
2-[1-(2,3-dimethyl-5-methylsulfanylphenyl)cyclopropyl]acetic acid
CID 117379802
2-[1-(2,3-dimethyl-5-methylsulfonylphenyl)cyclopropyl]acetic acid
CID 117453870
2-[1-(2,3-dimethylphenyl)cyclopropyl]acetic acid
CID 84777910
3-[1-(carboxymethyl)cyclopropyl]-4,5-dimethylbenzoic acid
CID 117373292

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluoro-2,5-dimethylphenyl)cyclopropyl]acetic acid?
The IUPAC name of 2-[1-(4-fluoro-2,5-dimethylphenyl)cyclopropyl]acetic acid (CID 84788583) is 2-[1-(4-fluoro-2,5-dimethylphenyl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-(4-fluoro-2,5-dimethylphenyl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-(4-fluoro-2,5-dimethylphenyl)cyclopropyl]acetic acid is Cc1cc(C2(CC(=O)O)CC2)c(C)cc1F.
What is the InChIKey of 2-[1-(4-fluoro-2,5-dimethylphenyl)cyclopropyl]acetic acid?
The InChIKey is HHCJGGPUFPRVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO2/c1-8-6-11(14)9(2)5-10(8)13(3-4-13)7-12(15)16/h5-6H,3-4,7H2,1-2H3,(H,15,16).
What are the key properties of 2-[1-(4-fluoro-2,5-dimethylphenyl)cyclopropyl]acetic acid?
2-[1-(4-fluoro-2,5-dimethylphenyl)cyclopropyl]acetic acid has a molecular weight of 222.26 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluoro-2,5-dimethylphenyl)cyclopropyl]acetic acid is sourced from PubChem (CID 84788583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).