4-[3-(trifluoromethyl)thiophen-2-yl]oxyaniline

C11H8F3NOS — CID 142681764

IUPAC4-[3-(trifluoromethyl)thiophen-2-yl]oxyaniline
SMILESNc1ccc(Oc2sccc2C(F)(F)F)cc1
InChIInChI=1S/C11H8F3NOS/c12-11(13,14)9-5-6-17-10(9)16-8-3-1-7(15)2-4-8/h1-6H,15H2
InChIKeyZJGHNJIHKIMCPX-UHFFFAOYSA-N
MW259.25 g/mol
LogP4.14
Rot. Bonds2

About 4-[3-(trifluoromethyl)thiophen-2-yl]oxyaniline

4-[3-(trifluoromethyl)thiophen-2-yl]oxyaniline (PubChem CID 142681764) has the molecular formula C11H8F3NOS and a molecular weight of 259.25 g/mol. Its IUPAC name is 4-[3-(trifluoromethyl)thiophen-2-yl]oxyaniline.

Molecular Properties

Compound Name4-[3-(trifluoromethyl)thiophen-2-yl]oxyaniline
PubChem CID142681764
Molecular FormulaC11H8F3NOS
Molecular Weight259.25 g/mol
Exact Mass259.03
IUPAC Name4-[3-(trifluoromethyl)thiophen-2-yl]oxyaniline
SMILESNc1ccc(Oc2sccc2C(F)(F)F)cc1
InChIInChI=1S/C11H8F3NOS/c12-11(13,14)9-5-6-17-10(9)16-8-3-1-7(15)2-4-8/h1-6H,15H2
InChIKeyZJGHNJIHKIMCPX-UHFFFAOYSA-N
XLogP4.14
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 ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(trifluoromethyl)thiophen-2-yl]oxyaniline?
The IUPAC name of 4-[3-(trifluoromethyl)thiophen-2-yl]oxyaniline (CID 142681764) is 4-[3-(trifluoromethyl)thiophen-2-yl]oxyaniline.
What is the SMILES notation for 4-[3-(trifluoromethyl)thiophen-2-yl]oxyaniline?
The canonical SMILES for 4-[3-(trifluoromethyl)thiophen-2-yl]oxyaniline is Nc1ccc(Oc2sccc2C(F)(F)F)cc1.
What is the InChIKey of 4-[3-(trifluoromethyl)thiophen-2-yl]oxyaniline?
The InChIKey is ZJGHNJIHKIMCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NOS/c12-11(13,14)9-5-6-17-10(9)16-8-3-1-7(15)2-4-8/h1-6H,15H2.
What are the key properties of 4-[3-(trifluoromethyl)thiophen-2-yl]oxyaniline?
4-[3-(trifluoromethyl)thiophen-2-yl]oxyaniline has a molecular weight of 259.25 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(trifluoromethyl)thiophen-2-yl]oxyaniline is sourced from PubChem (CID 142681764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).