4-[5-(1-amino-6-fluorohexyl)thiophen-2-yl]butanoic acid

C14H22FNO2S — CID 141001224

IUPAC4-[5-(1-amino-6-fluorohexyl)thiophen-2-yl]butanoic acid
SMILESNC(CCCCCF)c1ccc(CCCC(=O)O)s1
InChIInChI=1S/C14H22FNO2S/c15-10-3-1-2-6-12(16)13-9-8-11(19-13)5-4-7-14(17)18/h8-9,12H,1-7,10,16H2,(H,17,18)
InChIKeyBZHFHSHORZFXAQ-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.69
Rot. Bonds10

About 4-[5-(1-amino-6-fluorohexyl)thiophen-2-yl]butanoic acid

4-[5-(1-amino-6-fluorohexyl)thiophen-2-yl]butanoic acid (PubChem CID 141001224) has the molecular formula C14H22FNO2S and a molecular weight of 287.40 g/mol. Its IUPAC name is 4-[5-(1-amino-6-fluorohexyl)thiophen-2-yl]butanoic acid.

Molecular Properties

Compound Name4-[5-(1-amino-6-fluorohexyl)thiophen-2-yl]butanoic acid
PubChem CID141001224
Molecular FormulaC14H22FNO2S
Molecular Weight287.40 g/mol
Exact Mass287.14
IUPAC Name4-[5-(1-amino-6-fluorohexyl)thiophen-2-yl]butanoic acid
SMILESNC(CCCCCF)c1ccc(CCCC(=O)O)s1
InChIInChI=1S/C14H22FNO2S/c15-10-3-1-2-6-12(16)13-9-8-11(19-13)5-4-7-14(17)18/h8-9,12H,1-7,10,16H2,(H,17,18)
InChIKeyBZHFHSHORZFXAQ-UHFFFAOYSA-N
XLogP3.69
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[5-(1-amino-6-fluorohexyl)thiophen-2-yl]butanoic 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 4-[5-(1-amino-6-fluorohexyl)thiophen-2-yl]butanoic acid?
The IUPAC name of 4-[5-(1-amino-6-fluorohexyl)thiophen-2-yl]butanoic acid (CID 141001224) is 4-[5-(1-amino-6-fluorohexyl)thiophen-2-yl]butanoic acid.
What is the SMILES notation for 4-[5-(1-amino-6-fluorohexyl)thiophen-2-yl]butanoic acid?
The canonical SMILES for 4-[5-(1-amino-6-fluorohexyl)thiophen-2-yl]butanoic acid is NC(CCCCCF)c1ccc(CCCC(=O)O)s1.
What is the InChIKey of 4-[5-(1-amino-6-fluorohexyl)thiophen-2-yl]butanoic acid?
The InChIKey is BZHFHSHORZFXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO2S/c15-10-3-1-2-6-12(16)13-9-8-11(19-13)5-4-7-14(17)18/h8-9,12H,1-7,10,16H2,(H,17,18).
What are the key properties of 4-[5-(1-amino-6-fluorohexyl)thiophen-2-yl]butanoic acid?
4-[5-(1-amino-6-fluorohexyl)thiophen-2-yl]butanoic acid has a molecular weight of 287.40 g/mol, XLogP of 3.69, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1-amino-6-fluorohexyl)thiophen-2-yl]butanoic acid is sourced from PubChem (CID 141001224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).