1-(4-fluoroanilino)-3-methylcyclobutane-1-carboxylic acid

C12H14FNO2 — CID 103563450

IUPAC1-(4-fluoroanilino)-3-methylcyclobutane-1-carboxylic acid
SMILESCC1CC(Nc2ccc(F)cc2)(C(=O)O)C1
InChIInChI=1S/C12H14FNO2/c1-8-6-12(7-8,11(15)16)14-10-4-2-9(13)3-5-10/h2-5,8,14H,6-7H2,1H3,(H,15,16)
InChIKeyLQYIPROXTYCIHB-UHFFFAOYSA-N
MW223.25 g/mol
LogP2.49
Rot. Bonds3

About 1-(4-fluoroanilino)-3-methylcyclobutane-1-carboxylic acid

1-(4-fluoroanilino)-3-methylcyclobutane-1-carboxylic acid (PubChem CID 103563450) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is 1-(4-fluoroanilino)-3-methylcyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(4-fluoroanilino)-3-methylcyclobutane-1-carboxylic acid
PubChem CID103563450
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name1-(4-fluoroanilino)-3-methylcyclobutane-1-carboxylic acid
SMILESCC1CC(Nc2ccc(F)cc2)(C(=O)O)C1
InChIInChI=1S/C12H14FNO2/c1-8-6-12(7-8,11(15)16)14-10-4-2-9(13)3-5-10/h2-5,8,14H,6-7H2,1H3,(H,15,16)
InChIKeyLQYIPROXTYCIHB-UHFFFAOYSA-N
XLogP2.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(4-fluoroanilino)-3-methylcyclobutane-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

1-(4-fluoroanilino)-3-methylcyclobutane-1-carboxamide
CID 103563294
1-(4-fluoroanilino)-3-methylcyclohexane-1-carboxylic acid
CID 60991952
1-(4-fluoroanilino)cyclopropane-1-carboxylic acid
CID 103439482
1-(4-bromoanilino)-3,5-dimethylcyclohexane-1-carboxylic acid
CID 64752863
1-(3-fluoroanilino)-3,5-dimethylcyclohexane-1-carboxylic acid
CID 64752284
methyl 1-(4-fluoroanilino)-4-methylcyclohexane-1-carboxylate
CID 54889652
1-(3-fluoroanilino)-3-methylcyclopentane-1-carboxylic acid
CID 64514036
1-(4-fluoroanilino)-3-methoxycyclobutane-1-carboxamide
CID 106822441
4-methyl-1-[4-(trifluoromethyl)anilino]cyclohexane-1-carboxylic acid
CID 61341954
1-(4-chloroanilino)-3-propan-2-ylcyclobutane-1-carboxylic acid
CID 103563503
1-(4-carbamoylanilino)-4-methylcyclohexane-1-carboxylic acid
CID 61289571
1-(3-fluoro-5-methylanilino)-4-methylcyclohexane-1-carboxylic acid
CID 79050444

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoroanilino)-3-methylcyclobutane-1-carboxylic acid?
The IUPAC name of 1-(4-fluoroanilino)-3-methylcyclobutane-1-carboxylic acid (CID 103563450) is 1-(4-fluoroanilino)-3-methylcyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(4-fluoroanilino)-3-methylcyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(4-fluoroanilino)-3-methylcyclobutane-1-carboxylic acid is CC1CC(Nc2ccc(F)cc2)(C(=O)O)C1.
What is the InChIKey of 1-(4-fluoroanilino)-3-methylcyclobutane-1-carboxylic acid?
The InChIKey is LQYIPROXTYCIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c1-8-6-12(7-8,11(15)16)14-10-4-2-9(13)3-5-10/h2-5,8,14H,6-7H2,1H3,(H,15,16).
What are the key properties of 1-(4-fluoroanilino)-3-methylcyclobutane-1-carboxylic acid?
1-(4-fluoroanilino)-3-methylcyclobutane-1-carboxylic acid has a molecular weight of 223.25 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoroanilino)-3-methylcyclobutane-1-carboxylic acid is sourced from PubChem (CID 103563450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).