2-[4-(fluoromethyl)thiophen-2-yl]-N-iodoacetamide

C7H7FINOS — CID 170233598

IUPAC2-[4-(fluoromethyl)thiophen-2-yl]-N-iodoacetamide
SMILESO=C(Cc1cc(CF)cs1)NI
InChIInChI=1S/C7H7FINOS/c8-3-5-1-6(12-4-5)2-7(11)10-9/h1,4H,2-3H2,(H,10,11)
InChIKeyZPHLFYBYIUNXAL-UHFFFAOYSA-N
MW299.11 g/mol
LogP2.23
Rot. Bonds3

About 2-[4-(fluoromethyl)thiophen-2-yl]-N-iodoacetamide

2-[4-(fluoromethyl)thiophen-2-yl]-N-iodoacetamide (PubChem CID 170233598) has the molecular formula C7H7FINOS and a molecular weight of 299.11 g/mol. Its IUPAC name is 2-[4-(fluoromethyl)thiophen-2-yl]-N-iodoacetamide.

Molecular Properties

Compound Name2-[4-(fluoromethyl)thiophen-2-yl]-N-iodoacetamide
PubChem CID170233598
Molecular FormulaC7H7FINOS
Molecular Weight299.11 g/mol
Exact Mass298.93
IUPAC Name2-[4-(fluoromethyl)thiophen-2-yl]-N-iodoacetamide
SMILESO=C(Cc1cc(CF)cs1)NI
InChIInChI=1S/C7H7FINOS/c8-3-5-1-6(12-4-5)2-7(11)10-9/h1,4H,2-3H2,(H,10,11)
InChIKeyZPHLFYBYIUNXAL-UHFFFAOYSA-N
XLogP2.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.11
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

Analyze 2-[4-(fluoromethyl)thiophen-2-yl]-N-iodoacetamide 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-[4-(fluoromethyl)thiophen-2-yl]-N-iodoacetamide?
The IUPAC name of 2-[4-(fluoromethyl)thiophen-2-yl]-N-iodoacetamide (CID 170233598) is 2-[4-(fluoromethyl)thiophen-2-yl]-N-iodoacetamide.
What is the SMILES notation for 2-[4-(fluoromethyl)thiophen-2-yl]-N-iodoacetamide?
The canonical SMILES for 2-[4-(fluoromethyl)thiophen-2-yl]-N-iodoacetamide is O=C(Cc1cc(CF)cs1)NI.
What is the InChIKey of 2-[4-(fluoromethyl)thiophen-2-yl]-N-iodoacetamide?
The InChIKey is ZPHLFYBYIUNXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FINOS/c8-3-5-1-6(12-4-5)2-7(11)10-9/h1,4H,2-3H2,(H,10,11).
What are the key properties of 2-[4-(fluoromethyl)thiophen-2-yl]-N-iodoacetamide?
2-[4-(fluoromethyl)thiophen-2-yl]-N-iodoacetamide has a molecular weight of 299.11 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(fluoromethyl)thiophen-2-yl]-N-iodoacetamide is sourced from PubChem (CID 170233598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).