5-thiophen-2-yl-2-(trifluoromethoxy)aniline

C11H8F3NOS — CID 171391090

IUPAC5-thiophen-2-yl-2-(trifluoromethoxy)aniline
SMILESNc1cc(-c2cccs2)ccc1OC(F)(F)F
InChIInChI=1S/C11H8F3NOS/c12-11(13,14)16-9-4-3-7(6-8(9)15)10-2-1-5-17-10/h1-6H,15H2
InChIKeyXAVKOTMOGIIXFG-UHFFFAOYSA-N
MW259.25 g/mol
LogP3.90
Rot. Bonds2

About 5-thiophen-2-yl-2-(trifluoromethoxy)aniline

5-thiophen-2-yl-2-(trifluoromethoxy)aniline (PubChem CID 171391090) has the molecular formula C11H8F3NOS and a molecular weight of 259.25 g/mol. Its IUPAC name is 5-thiophen-2-yl-2-(trifluoromethoxy)aniline.

Molecular Properties

Compound Name5-thiophen-2-yl-2-(trifluoromethoxy)aniline
PubChem CID171391090
Molecular FormulaC11H8F3NOS
Molecular Weight259.25 g/mol
Exact Mass259.03
IUPAC Name5-thiophen-2-yl-2-(trifluoromethoxy)aniline
SMILESNc1cc(-c2cccs2)ccc1OC(F)(F)F
InChIInChI=1S/C11H8F3NOS/c12-11(13,14)16-9-4-3-7(6-8(9)15)10-2-1-5-17-10/h1-6H,15H2
InChIKeyXAVKOTMOGIIXFG-UHFFFAOYSA-N
XLogP3.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.25
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-thiophen-2-yl-2-(trifluoromethoxy)aniline?
The IUPAC name of 5-thiophen-2-yl-2-(trifluoromethoxy)aniline (CID 171391090) is 5-thiophen-2-yl-2-(trifluoromethoxy)aniline.
What is the SMILES notation for 5-thiophen-2-yl-2-(trifluoromethoxy)aniline?
The canonical SMILES for 5-thiophen-2-yl-2-(trifluoromethoxy)aniline is Nc1cc(-c2cccs2)ccc1OC(F)(F)F.
What is the InChIKey of 5-thiophen-2-yl-2-(trifluoromethoxy)aniline?
The InChIKey is XAVKOTMOGIIXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NOS/c12-11(13,14)16-9-4-3-7(6-8(9)15)10-2-1-5-17-10/h1-6H,15H2.
What are the key properties of 5-thiophen-2-yl-2-(trifluoromethoxy)aniline?
5-thiophen-2-yl-2-(trifluoromethoxy)aniline has a molecular weight of 259.25 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-2-yl-2-(trifluoromethoxy)aniline is sourced from PubChem (CID 171391090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).