1-(fluoromethyl)cyclobutane-1-carboxylic acid

C6H9FO2 — CID 58438987

IUPAC1-(fluoromethyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(CF)CCC1
InChIInChI=1S/C6H9FO2/c7-4-6(5(8)9)2-1-3-6/h1-4H2,(H,8,9)
InChIKeyAGPYMWSEOIOIPD-UHFFFAOYSA-N
MW132.13 g/mol
LogP1.21
Rot. Bonds2

About 1-(fluoromethyl)cyclobutane-1-carboxylic acid

1-(fluoromethyl)cyclobutane-1-carboxylic acid (PubChem CID 58438987) has the molecular formula C6H9FO2 and a molecular weight of 132.13 g/mol. Its IUPAC name is 1-(fluoromethyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(fluoromethyl)cyclobutane-1-carboxylic acid
PubChem CID58438987
Molecular FormulaC6H9FO2
Molecular Weight132.13 g/mol
Exact Mass132.06
IUPAC Name1-(fluoromethyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(CF)CCC1
InChIInChI=1S/C6H9FO2/c7-4-6(5(8)9)2-1-3-6/h1-4H2,(H,8,9)
InChIKeyAGPYMWSEOIOIPD-UHFFFAOYSA-N
XLogP1.21
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.13
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(fluoromethyl)cyclobutane-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 1-(fluoromethyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(fluoromethyl)cyclobutane-1-carboxylic acid (CID 58438987) is 1-(fluoromethyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(fluoromethyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(fluoromethyl)cyclobutane-1-carboxylic acid is O=C(O)C1(CF)CCC1.
What is the InChIKey of 1-(fluoromethyl)cyclobutane-1-carboxylic acid?
The InChIKey is AGPYMWSEOIOIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FO2/c7-4-6(5(8)9)2-1-3-6/h1-4H2,(H,8,9).
What are the key properties of 1-(fluoromethyl)cyclobutane-1-carboxylic acid?
1-(fluoromethyl)cyclobutane-1-carboxylic acid has a molecular weight of 132.13 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 58438987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).