2-[2-(4-fluoro-3-methylphenyl)ethyl]cyclopropane-1-carboxylic acid

C13H15FO2 — CID 83931121

IUPAC2-[2-(4-fluoro-3-methylphenyl)ethyl]cyclopropane-1-carboxylic acid
SMILESCc1cc(CCC2CC2C(=O)O)ccc1F
InChIInChI=1S/C13H15FO2/c1-8-6-9(3-5-12(8)14)2-4-10-7-11(10)13(15)16/h3,5-6,10-11H,2,4,7H2,1H3,(H,15,16)
InChIKeyBQUNXOLBYFQVPY-UHFFFAOYSA-N
MW222.26 g/mol
LogP2.79
Rot. Bonds4

About 2-[2-(4-fluoro-3-methylphenyl)ethyl]cyclopropane-1-carboxylic acid

2-[2-(4-fluoro-3-methylphenyl)ethyl]cyclopropane-1-carboxylic acid (PubChem CID 83931121) has the molecular formula C13H15FO2 and a molecular weight of 222.26 g/mol. Its IUPAC name is 2-[2-(4-fluoro-3-methylphenyl)ethyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(4-fluoro-3-methylphenyl)ethyl]cyclopropane-1-carboxylic acid
PubChem CID83931121
Molecular FormulaC13H15FO2
Molecular Weight222.26 g/mol
Exact Mass222.11
IUPAC Name2-[2-(4-fluoro-3-methylphenyl)ethyl]cyclopropane-1-carboxylic acid
SMILESCc1cc(CCC2CC2C(=O)O)ccc1F
InChIInChI=1S/C13H15FO2/c1-8-6-9(3-5-12(8)14)2-4-10-7-11(10)13(15)16/h3,5-6,10-11H,2,4,7H2,1H3,(H,15,16)
InChIKeyBQUNXOLBYFQVPY-UHFFFAOYSA-N
XLogP2.79
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[2-(4-fluoro-3-methylphenyl)ethyl]cyclopropane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(3,4-difluorophenyl)ethyl]cyclopropane-1-carboxylic acid
CID 83936253
trans-(1R,2S)-2-[2-(4-iodophenyl)ethyl]cyclopropane-1-carboxylic acid
CID 130404266
2-[2-(4-aminophenyl)ethyl]cyclopropane-1-carboxylic acid
CID 112718089
(1R)-2-(2-phenylethyl)cyclopropane-1-carboxylic acid
CID 67182121
2-[(4-fluoro-N,3-dimethylanilino)methyl]cyclopropane-1-carboxylic acid
CID 115221370
1-[(4-fluoro-3-methylphenyl)methyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79382615
trans-(1R,2S)-2-[2-[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]ethyl]cyclopropane-1-carboxylic acid
CID 130387004
trans-(1R,2R)-2-[(3,4-difluorophenyl)methyl]cyclopropane-1-carboxylic acid
CID 99993220
2-[2-(2,5-dimethylphenyl)ethyl]cyclopropane-1-carboxylic acid
CID 83928194
2-[2-(4-nitrophenyl)ethyl]cyclopropane-1-carboxylic acid
CID 112717887
1-[2-(4-fluoro-3-methylphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 115181931
2-[2-(4-fluoro-3-methylphenyl)ethoxy]acetic acid
CID 79017010

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluoro-3-methylphenyl)ethyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[2-(4-fluoro-3-methylphenyl)ethyl]cyclopropane-1-carboxylic acid (CID 83931121) is 2-[2-(4-fluoro-3-methylphenyl)ethyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[2-(4-fluoro-3-methylphenyl)ethyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[2-(4-fluoro-3-methylphenyl)ethyl]cyclopropane-1-carboxylic acid is Cc1cc(CCC2CC2C(=O)O)ccc1F.
What is the InChIKey of 2-[2-(4-fluoro-3-methylphenyl)ethyl]cyclopropane-1-carboxylic acid?
The InChIKey is BQUNXOLBYFQVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO2/c1-8-6-9(3-5-12(8)14)2-4-10-7-11(10)13(15)16/h3,5-6,10-11H,2,4,7H2,1H3,(H,15,16).
What are the key properties of 2-[2-(4-fluoro-3-methylphenyl)ethyl]cyclopropane-1-carboxylic acid?
2-[2-(4-fluoro-3-methylphenyl)ethyl]cyclopropane-1-carboxylic acid has a molecular weight of 222.26 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluoro-3-methylphenyl)ethyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 83931121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).