4-[(1-fluorocyclobutyl)methyl]benzoic acid

C12H13FO2 — CID 84722629

IUPAC4-[(1-fluorocyclobutyl)methyl]benzoic acid
SMILESO=C(O)c1ccc(CC2(F)CCC2)cc1
InChIInChI=1S/C12H13FO2/c13-12(6-1-7-12)8-9-2-4-10(5-3-9)11(14)15/h2-5H,1,6-8H2,(H,14,15)
InChIKeyATSIOPIDSZLUIB-UHFFFAOYSA-N
MW208.23 g/mol
LogP2.82
Rot. Bonds3

About 4-[(1-fluorocyclobutyl)methyl]benzoic acid

4-[(1-fluorocyclobutyl)methyl]benzoic acid (PubChem CID 84722629) has the molecular formula C12H13FO2 and a molecular weight of 208.23 g/mol. Its IUPAC name is 4-[(1-fluorocyclobutyl)methyl]benzoic acid.

Molecular Properties

Compound Name4-[(1-fluorocyclobutyl)methyl]benzoic acid
PubChem CID84722629
Molecular FormulaC12H13FO2
Molecular Weight208.23 g/mol
Exact Mass208.09
IUPAC Name4-[(1-fluorocyclobutyl)methyl]benzoic acid
SMILESO=C(O)c1ccc(CC2(F)CCC2)cc1
InChIInChI=1S/C12H13FO2/c13-12(6-1-7-12)8-9-2-4-10(5-3-9)11(14)15/h2-5H,1,6-8H2,(H,14,15)
InChIKeyATSIOPIDSZLUIB-UHFFFAOYSA-N
XLogP2.82
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-[(1-fluorocyclobutyl)methyl]benzoic 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

4-[(1-fluorocyclooctyl)methyl]benzoic acid
CID 144590205
4-[(3-fluoropiperidin-3-yl)methyl]benzoic acid
CID 105498925
1-[4-[(1-fluorocyclohexyl)methyl]phenyl]ethanone
CID 84726990
4-[(3-fluorooxolan-3-yl)methyl]benzoic acid
CID 84725441
4-[[2-(1-fluorocyclobutyl)ethylamino]methyl]benzoic acid
CID 122034405
4-[(1-fluorocyclopentyl)methyl]benzaldehyde
CID 84722284
1-fluoro-4-[(1-fluorocyclopentyl)methyl]benzene
CID 84720734
2-[3-[(1-fluorocyclobutyl)methyl]phenyl]acetic acid
CID 84725013
1-[4-[(4-fluoropiperidin-4-yl)methyl]phenyl]ethanone
CID 105496458
[4-[(1-fluorocyclopentyl)methyl]phenyl]methanamine
CID 84722437
cyclopropane;4-(hydroxymethyl)benzoic acid
CID 67743038
1-[(1-fluorocyclohexyl)methyl]-4-methylbenzene
CID 84722324

Frequently Asked Questions

What is the IUPAC name of 4-[(1-fluorocyclobutyl)methyl]benzoic acid?
The IUPAC name of 4-[(1-fluorocyclobutyl)methyl]benzoic acid (CID 84722629) is 4-[(1-fluorocyclobutyl)methyl]benzoic acid.
What is the SMILES notation for 4-[(1-fluorocyclobutyl)methyl]benzoic acid?
The canonical SMILES for 4-[(1-fluorocyclobutyl)methyl]benzoic acid is O=C(O)c1ccc(CC2(F)CCC2)cc1.
What is the InChIKey of 4-[(1-fluorocyclobutyl)methyl]benzoic acid?
The InChIKey is ATSIOPIDSZLUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO2/c13-12(6-1-7-12)8-9-2-4-10(5-3-9)11(14)15/h2-5H,1,6-8H2,(H,14,15).
What are the key properties of 4-[(1-fluorocyclobutyl)methyl]benzoic acid?
4-[(1-fluorocyclobutyl)methyl]benzoic acid has a molecular weight of 208.23 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-fluorocyclobutyl)methyl]benzoic acid is sourced from PubChem (CID 84722629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).