2-(4-fluoro-3-isocyanophenyl)-5-methylthiophene

C12H8FNS — CID 59386604

IUPAC2-(4-fluoro-3-isocyanophenyl)-5-methylthiophene
SMILES[C-]#[N+]c1cc(-c2ccc(C)s2)ccc1F
InChIInChI=1S/C12H8FNS/c1-8-3-6-12(15-8)9-4-5-10(13)11(7-9)14-2/h3-7H,1H3
InChIKeyFOUDVPOIXWLQFK-UHFFFAOYSA-N
MW217.27 g/mol
LogP4.41
Rot. Bonds1

About 2-(4-fluoro-3-isocyanophenyl)-5-methylthiophene

2-(4-fluoro-3-isocyanophenyl)-5-methylthiophene (PubChem CID 59386604) has the molecular formula C12H8FNS and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-(4-fluoro-3-isocyanophenyl)-5-methylthiophene.

Molecular Properties

Compound Name2-(4-fluoro-3-isocyanophenyl)-5-methylthiophene
PubChem CID59386604
Molecular FormulaC12H8FNS
Molecular Weight217.27 g/mol
Exact Mass217.04
IUPAC Name2-(4-fluoro-3-isocyanophenyl)-5-methylthiophene
SMILES[C-]#[N+]c1cc(-c2ccc(C)s2)ccc1F
InChIInChI=1S/C12H8FNS/c1-8-3-6-12(15-8)9-4-5-10(13)11(7-9)14-2/h3-7H,1H3
InChIKeyFOUDVPOIXWLQFK-UHFFFAOYSA-N
XLogP4.41
TPSA4.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(4-fluoro-3-isocyanophenyl)-5-methylthiophene 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-fluoro-3-isocyanophenyl)-5-methylthiophene?
The IUPAC name of 2-(4-fluoro-3-isocyanophenyl)-5-methylthiophene (CID 59386604) is 2-(4-fluoro-3-isocyanophenyl)-5-methylthiophene.
What is the SMILES notation for 2-(4-fluoro-3-isocyanophenyl)-5-methylthiophene?
The canonical SMILES for 2-(4-fluoro-3-isocyanophenyl)-5-methylthiophene is [C-]#[N+]c1cc(-c2ccc(C)s2)ccc1F.
What is the InChIKey of 2-(4-fluoro-3-isocyanophenyl)-5-methylthiophene?
The InChIKey is FOUDVPOIXWLQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FNS/c1-8-3-6-12(15-8)9-4-5-10(13)11(7-9)14-2/h3-7H,1H3.
What are the key properties of 2-(4-fluoro-3-isocyanophenyl)-5-methylthiophene?
2-(4-fluoro-3-isocyanophenyl)-5-methylthiophene has a molecular weight of 217.27 g/mol, XLogP of 4.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-isocyanophenyl)-5-methylthiophene is sourced from PubChem (CID 59386604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).