1-(2-fluorothiophen-3-yl)cyclobutane-1-carboxylic acid

C9H9FO2S — CID 96620305

IUPAC1-(2-fluorothiophen-3-yl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2ccsc2F)CCC1
InChIInChI=1S/C9H9FO2S/c10-7-6(2-5-13-7)9(8(11)12)3-1-4-9/h2,5H,1,3-4H2,(H,11,12)
InChIKeyDVVCCGLUWNSEMH-UHFFFAOYSA-N
MW200.23 g/mol
LogP2.39
Rot. Bonds2

About 1-(2-fluorothiophen-3-yl)cyclobutane-1-carboxylic acid

1-(2-fluorothiophen-3-yl)cyclobutane-1-carboxylic acid (PubChem CID 96620305) has the molecular formula C9H9FO2S and a molecular weight of 200.23 g/mol. Its IUPAC name is 1-(2-fluorothiophen-3-yl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-fluorothiophen-3-yl)cyclobutane-1-carboxylic acid
PubChem CID96620305
Molecular FormulaC9H9FO2S
Molecular Weight200.23 g/mol
Exact Mass200.03
IUPAC Name1-(2-fluorothiophen-3-yl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2ccsc2F)CCC1
InChIInChI=1S/C9H9FO2S/c10-7-6(2-5-13-7)9(8(11)12)3-1-4-9/h2,5H,1,3-4H2,(H,11,12)
InChIKeyDVVCCGLUWNSEMH-UHFFFAOYSA-N
XLogP2.39
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-fluorothiophen-3-yl)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-(2-fluorothiophen-3-yl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(2-fluorothiophen-3-yl)cyclobutane-1-carboxylic acid (CID 96620305) is 1-(2-fluorothiophen-3-yl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(2-fluorothiophen-3-yl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(2-fluorothiophen-3-yl)cyclobutane-1-carboxylic acid is O=C(O)C1(c2ccsc2F)CCC1.
What is the InChIKey of 1-(2-fluorothiophen-3-yl)cyclobutane-1-carboxylic acid?
The InChIKey is DVVCCGLUWNSEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO2S/c10-7-6(2-5-13-7)9(8(11)12)3-1-4-9/h2,5H,1,3-4H2,(H,11,12).
What are the key properties of 1-(2-fluorothiophen-3-yl)cyclobutane-1-carboxylic acid?
1-(2-fluorothiophen-3-yl)cyclobutane-1-carboxylic acid has a molecular weight of 200.23 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorothiophen-3-yl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 96620305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).