4-fluoro-2-[(2-thiophen-2-ylanilino)methyl]phenol

C17H14FNOS — CID 107694338

IUPAC4-fluoro-2-[(2-thiophen-2-ylanilino)methyl]phenol
SMILESOc1ccc(F)cc1CNc1ccccc1-c1cccs1
InChIInChI=1S/C17H14FNOS/c18-13-7-8-16(20)12(10-13)11-19-15-5-2-1-4-14(15)17-6-3-9-21-17/h1-10,19-20H,11H2
InChIKeyHKMQVYIYUQZSDN-UHFFFAOYSA-N
MW299.37 g/mol
LogP4.87
Rot. Bonds4

About 4-fluoro-2-[(2-thiophen-2-ylanilino)methyl]phenol

4-fluoro-2-[(2-thiophen-2-ylanilino)methyl]phenol (PubChem CID 107694338) has the molecular formula C17H14FNOS and a molecular weight of 299.37 g/mol. Its IUPAC name is 4-fluoro-2-[(2-thiophen-2-ylanilino)methyl]phenol.

Molecular Properties

Compound Name4-fluoro-2-[(2-thiophen-2-ylanilino)methyl]phenol
PubChem CID107694338
Molecular FormulaC17H14FNOS
Molecular Weight299.37 g/mol
Exact Mass299.08
IUPAC Name4-fluoro-2-[(2-thiophen-2-ylanilino)methyl]phenol
SMILESOc1ccc(F)cc1CNc1ccccc1-c1cccs1
InChIInChI=1S/C17H14FNOS/c18-13-7-8-16(20)12(10-13)11-19-15-5-2-1-4-14(15)17-6-3-9-21-17/h1-10,19-20H,11H2
InChIKeyHKMQVYIYUQZSDN-UHFFFAOYSA-N
XLogP4.87
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 4-fluoro-2-[(2-thiophen-2-ylanilino)methyl]phenol 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-fluoro-2-[(2-thiophen-2-ylanilino)methyl]phenol?
The IUPAC name of 4-fluoro-2-[(2-thiophen-2-ylanilino)methyl]phenol (CID 107694338) is 4-fluoro-2-[(2-thiophen-2-ylanilino)methyl]phenol.
What is the SMILES notation for 4-fluoro-2-[(2-thiophen-2-ylanilino)methyl]phenol?
The canonical SMILES for 4-fluoro-2-[(2-thiophen-2-ylanilino)methyl]phenol is Oc1ccc(F)cc1CNc1ccccc1-c1cccs1.
What is the InChIKey of 4-fluoro-2-[(2-thiophen-2-ylanilino)methyl]phenol?
The InChIKey is HKMQVYIYUQZSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNOS/c18-13-7-8-16(20)12(10-13)11-19-15-5-2-1-4-14(15)17-6-3-9-21-17/h1-10,19-20H,11H2.
What are the key properties of 4-fluoro-2-[(2-thiophen-2-ylanilino)methyl]phenol?
4-fluoro-2-[(2-thiophen-2-ylanilino)methyl]phenol has a molecular weight of 299.37 g/mol, XLogP of 4.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[(2-thiophen-2-ylanilino)methyl]phenol is sourced from PubChem (CID 107694338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).