2-phenyl-2-(1,3-thiazol-5-yl)acetyl fluoride

C11H8FNOS — CID 90420402

IUPAC2-phenyl-2-(1,3-thiazol-5-yl)acetyl fluoride
SMILESO=C(F)C(c1ccccc1)c1cncs1
InChIInChI=1S/C11H8FNOS/c12-11(14)10(9-6-13-7-15-9)8-4-2-1-3-5-8/h1-7,10H
InChIKeyXMFVUYWAAASAIJ-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.77
Rot. Bonds3

About 2-phenyl-2-(1,3-thiazol-5-yl)acetyl fluoride

2-phenyl-2-(1,3-thiazol-5-yl)acetyl fluoride (PubChem CID 90420402) has the molecular formula C11H8FNOS and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-phenyl-2-(1,3-thiazol-5-yl)acetyl fluoride.

Molecular Properties

Compound Name2-phenyl-2-(1,3-thiazol-5-yl)acetyl fluoride
PubChem CID90420402
Molecular FormulaC11H8FNOS
Molecular Weight221.26 g/mol
Exact Mass221.03
IUPAC Name2-phenyl-2-(1,3-thiazol-5-yl)acetyl fluoride
SMILESO=C(F)C(c1ccccc1)c1cncs1
InChIInChI=1S/C11H8FNOS/c12-11(14)10(9-6-13-7-15-9)8-4-2-1-3-5-8/h1-7,10H
InChIKeyXMFVUYWAAASAIJ-UHFFFAOYSA-N
XLogP2.77
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-phenyl-2-(1,3-thiazol-5-yl)acetyl fluoride 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 2-phenyl-2-(1,3-thiazol-5-yl)acetyl fluoride?
The IUPAC name of 2-phenyl-2-(1,3-thiazol-5-yl)acetyl fluoride (CID 90420402) is 2-phenyl-2-(1,3-thiazol-5-yl)acetyl fluoride.
What is the SMILES notation for 2-phenyl-2-(1,3-thiazol-5-yl)acetyl fluoride?
The canonical SMILES for 2-phenyl-2-(1,3-thiazol-5-yl)acetyl fluoride is O=C(F)C(c1ccccc1)c1cncs1.
What is the InChIKey of 2-phenyl-2-(1,3-thiazol-5-yl)acetyl fluoride?
The InChIKey is XMFVUYWAAASAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNOS/c12-11(14)10(9-6-13-7-15-9)8-4-2-1-3-5-8/h1-7,10H.
What are the key properties of 2-phenyl-2-(1,3-thiazol-5-yl)acetyl fluoride?
2-phenyl-2-(1,3-thiazol-5-yl)acetyl fluoride has a molecular weight of 221.26 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-(1,3-thiazol-5-yl)acetyl fluoride is sourced from PubChem (CID 90420402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).