[5-(2,3,5-trifluorophenyl)thiophen-2-yl]methanamine

C11H8F3NS — CID 62813233

IUPAC[5-(2,3,5-trifluorophenyl)thiophen-2-yl]methanamine
SMILESNCc1ccc(-c2cc(F)cc(F)c2F)s1
InChIInChI=1S/C11H8F3NS/c12-6-3-8(11(14)9(13)4-6)10-2-1-7(5-15)16-10/h1-4H,5,15H2
InChIKeyBDNJTBOQDJIZBD-UHFFFAOYSA-N
MW243.25 g/mol
LogP3.29
Rot. Bonds2

About [5-(2,3,5-trifluorophenyl)thiophen-2-yl]methanamine

[5-(2,3,5-trifluorophenyl)thiophen-2-yl]methanamine (PubChem CID 62813233) has the molecular formula C11H8F3NS and a molecular weight of 243.25 g/mol. Its IUPAC name is [5-(2,3,5-trifluorophenyl)thiophen-2-yl]methanamine.

Molecular Properties

Compound Name[5-(2,3,5-trifluorophenyl)thiophen-2-yl]methanamine
PubChem CID62813233
Molecular FormulaC11H8F3NS
Molecular Weight243.25 g/mol
Exact Mass243.03
IUPAC Name[5-(2,3,5-trifluorophenyl)thiophen-2-yl]methanamine
SMILESNCc1ccc(-c2cc(F)cc(F)c2F)s1
InChIInChI=1S/C11H8F3NS/c12-6-3-8(11(14)9(13)4-6)10-2-1-7(5-15)16-10/h1-4H,5,15H2
InChIKeyBDNJTBOQDJIZBD-UHFFFAOYSA-N
XLogP3.29
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze [5-(2,3,5-trifluorophenyl)thiophen-2-yl]methanamine 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 [5-(2,3,5-trifluorophenyl)thiophen-2-yl]methanamine?
The IUPAC name of [5-(2,3,5-trifluorophenyl)thiophen-2-yl]methanamine (CID 62813233) is [5-(2,3,5-trifluorophenyl)thiophen-2-yl]methanamine.
What is the SMILES notation for [5-(2,3,5-trifluorophenyl)thiophen-2-yl]methanamine?
The canonical SMILES for [5-(2,3,5-trifluorophenyl)thiophen-2-yl]methanamine is NCc1ccc(-c2cc(F)cc(F)c2F)s1.
What is the InChIKey of [5-(2,3,5-trifluorophenyl)thiophen-2-yl]methanamine?
The InChIKey is BDNJTBOQDJIZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NS/c12-6-3-8(11(14)9(13)4-6)10-2-1-7(5-15)16-10/h1-4H,5,15H2.
What are the key properties of [5-(2,3,5-trifluorophenyl)thiophen-2-yl]methanamine?
[5-(2,3,5-trifluorophenyl)thiophen-2-yl]methanamine has a molecular weight of 243.25 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,3,5-trifluorophenyl)thiophen-2-yl]methanamine is sourced from PubChem (CID 62813233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).