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

C11H11FO2 — CID 72755670

IUPAC2-fluoro-2-(4-methylphenyl)cyclopropane-1-carboxylic acid
SMILESCc1ccc(C2(F)CC2C(=O)O)cc1
InChIInChI=1S/C11H11FO2/c1-7-2-4-8(5-3-7)11(12)6-9(11)10(13)14/h2-5,9H,6H2,1H3,(H,13,14)
InChIKeyMVVRZFDBFSIVIO-UHFFFAOYSA-N
MW194.20 g/mol
LogP2.26
Rot. Bonds2

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

2-fluoro-2-(4-methylphenyl)cyclopropane-1-carboxylic acid (PubChem CID 72755670) has the molecular formula C11H11FO2 and a molecular weight of 194.20 g/mol. Its IUPAC name is 2-fluoro-2-(4-methylphenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-fluoro-2-(4-methylphenyl)cyclopropane-1-carboxylic acid
PubChem CID72755670
Molecular FormulaC11H11FO2
Molecular Weight194.20 g/mol
Exact Mass194.07
IUPAC Name2-fluoro-2-(4-methylphenyl)cyclopropane-1-carboxylic acid
SMILESCc1ccc(C2(F)CC2C(=O)O)cc1
InChIInChI=1S/C11H11FO2/c1-7-2-4-8(5-3-7)11(12)6-9(11)10(13)14/h2-5,9H,6H2,1H3,(H,13,14)
InChIKeyMVVRZFDBFSIVIO-UHFFFAOYSA-N
XLogP2.26
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-fluoro-2-(4-methylphenyl)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

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(4-methylphenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-fluoro-2-(4-methylphenyl)cyclopropane-1-carboxylic acid (CID 72755670) is 2-fluoro-2-(4-methylphenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-fluoro-2-(4-methylphenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-fluoro-2-(4-methylphenyl)cyclopropane-1-carboxylic acid is Cc1ccc(C2(F)CC2C(=O)O)cc1.
What is the InChIKey of 2-fluoro-2-(4-methylphenyl)cyclopropane-1-carboxylic acid?
The InChIKey is MVVRZFDBFSIVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO2/c1-7-2-4-8(5-3-7)11(12)6-9(11)10(13)14/h2-5,9H,6H2,1H3,(H,13,14).
What are the key properties of 2-fluoro-2-(4-methylphenyl)cyclopropane-1-carboxylic acid?
2-fluoro-2-(4-methylphenyl)cyclopropane-1-carboxylic acid has a molecular weight of 194.20 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(4-methylphenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 72755670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).