2-(2-fluoro-N-methylanilino)cyclopropane-1-carboxylic acid

C11H12FNO2 — CID 117042623

IUPAC2-(2-fluoro-N-methylanilino)cyclopropane-1-carboxylic acid
SMILESCN(c1ccccc1F)C1CC1C(=O)O
InChIInChI=1S/C11H12FNO2/c1-13(10-6-7(10)11(14)15)9-5-3-2-4-8(9)12/h2-5,7,10H,6H2,1H3,(H,14,15)
InChIKeyUOWVVRMGJDCMFA-UHFFFAOYSA-N
MW209.22 g/mol
LogP1.74
Rot. Bonds3

About 2-(2-fluoro-N-methylanilino)cyclopropane-1-carboxylic acid

2-(2-fluoro-N-methylanilino)cyclopropane-1-carboxylic acid (PubChem CID 117042623) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is 2-(2-fluoro-N-methylanilino)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-fluoro-N-methylanilino)cyclopropane-1-carboxylic acid
PubChem CID117042623
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Name2-(2-fluoro-N-methylanilino)cyclopropane-1-carboxylic acid
SMILESCN(c1ccccc1F)C1CC1C(=O)O
InChIInChI=1S/C11H12FNO2/c1-13(10-6-7(10)11(14)15)9-5-3-2-4-8(9)12/h2-5,7,10H,6H2,1H3,(H,14,15)
InChIKeyUOWVVRMGJDCMFA-UHFFFAOYSA-N
XLogP1.74
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-fluoro-N-methylanilino)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-bromo-N-methylanilino)cyclopropane-1-carboxylic acid
CID 117042642
2-[2-(2-fluorophenyl)ethyl-methylamino]cyclopropane-1-carboxylic acid
CID 117042808
2-[methyl(pyridin-4-yl)amino]cyclopropane-1-carboxylic acid
CID 117042628
2-[methyl(1H-pyrrol-3-yl)amino]cyclopropane-1-carboxylic acid
CID 117042576
2-(4-tert-butyl-N,2-dimethylanilino)cyclopropane-1-carboxylic acid
CID 117042600
2-[ethyl-(2-fluorophenyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114390910
2-[[(2-fluorophenyl)-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid
CID 64816362
N-cyclopropyl-2-fluoro-N-methylaniline;hydrochloride
CID 138393814
2-(N-methyl-4-propan-2-ylsulfanylanilino)cyclopropane-1-carboxylic acid
CID 117042598
2-[ethyl-(2-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978665
3-[ethyl-(2-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103550638
2-[(4-fluorophenyl)methyl-methylamino]cyclopropane-1-carboxylic acid
CID 117042665

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-N-methylanilino)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(2-fluoro-N-methylanilino)cyclopropane-1-carboxylic acid (CID 117042623) is 2-(2-fluoro-N-methylanilino)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(2-fluoro-N-methylanilino)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(2-fluoro-N-methylanilino)cyclopropane-1-carboxylic acid is CN(c1ccccc1F)C1CC1C(=O)O.
What is the InChIKey of 2-(2-fluoro-N-methylanilino)cyclopropane-1-carboxylic acid?
The InChIKey is UOWVVRMGJDCMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2/c1-13(10-6-7(10)11(14)15)9-5-3-2-4-8(9)12/h2-5,7,10H,6H2,1H3,(H,14,15).
What are the key properties of 2-(2-fluoro-N-methylanilino)cyclopropane-1-carboxylic acid?
2-(2-fluoro-N-methylanilino)cyclopropane-1-carboxylic acid has a molecular weight of 209.22 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-N-methylanilino)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 117042623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).