1-thiophen-3-yl-N-[4-(trifluoromethoxy)phenyl]methanimine

C12H8F3NOS — CID 2359103

IUPAC1-thiophen-3-yl-N-[4-(trifluoromethoxy)phenyl]methanimine
SMILESFC(F)(F)Oc1ccc(/N=C/c2ccsc2)cc1
InChIInChI=1S/C12H8F3NOS/c13-12(14,15)17-11-3-1-10(2-4-11)16-7-9-5-6-18-8-9/h1-8H/b16-7+
InChIKeyVQWXSBLEGWHUQH-FRKPEAEDSA-N
MW271.26 g/mol
LogP4.40
Rot. Bonds3

About 1-thiophen-3-yl-N-[4-(trifluoromethoxy)phenyl]methanimine

1-thiophen-3-yl-N-[4-(trifluoromethoxy)phenyl]methanimine (PubChem CID 2359103) has the molecular formula C12H8F3NOS and a molecular weight of 271.26 g/mol. Its IUPAC name is 1-thiophen-3-yl-N-[4-(trifluoromethoxy)phenyl]methanimine.

Molecular Properties

Compound Name1-thiophen-3-yl-N-[4-(trifluoromethoxy)phenyl]methanimine
PubChem CID2359103
Molecular FormulaC12H8F3NOS
Molecular Weight271.26 g/mol
Exact Mass271.03
IUPAC Name1-thiophen-3-yl-N-[4-(trifluoromethoxy)phenyl]methanimine
SMILESFC(F)(F)Oc1ccc(/N=C/c2ccsc2)cc1
InChIInChI=1S/C12H8F3NOS/c13-12(14,15)17-11-3-1-10(2-4-11)16-7-9-5-6-18-8-9/h1-8H/b16-7+
InChIKeyVQWXSBLEGWHUQH-FRKPEAEDSA-N
XLogP4.40
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.26
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-thiophen-3-yl-N-[4-(trifluoromethoxy)phenyl]methanimine 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 1-thiophen-3-yl-N-[4-(trifluoromethoxy)phenyl]methanimine?
The IUPAC name of 1-thiophen-3-yl-N-[4-(trifluoromethoxy)phenyl]methanimine (CID 2359103) is 1-thiophen-3-yl-N-[4-(trifluoromethoxy)phenyl]methanimine.
What is the SMILES notation for 1-thiophen-3-yl-N-[4-(trifluoromethoxy)phenyl]methanimine?
The canonical SMILES for 1-thiophen-3-yl-N-[4-(trifluoromethoxy)phenyl]methanimine is FC(F)(F)Oc1ccc(/N=C/c2ccsc2)cc1.
What is the InChIKey of 1-thiophen-3-yl-N-[4-(trifluoromethoxy)phenyl]methanimine?
The InChIKey is VQWXSBLEGWHUQH-FRKPEAEDSA-N. The full InChI is InChI=1S/C12H8F3NOS/c13-12(14,15)17-11-3-1-10(2-4-11)16-7-9-5-6-18-8-9/h1-8H/b16-7+.
What are the key properties of 1-thiophen-3-yl-N-[4-(trifluoromethoxy)phenyl]methanimine?
1-thiophen-3-yl-N-[4-(trifluoromethoxy)phenyl]methanimine has a molecular weight of 271.26 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-3-yl-N-[4-(trifluoromethoxy)phenyl]methanimine is sourced from PubChem (CID 2359103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).