4-(thiophen-2-ylmethoxy)-2-(trifluoromethyl)aniline

C12H10F3NOS — CID 54966555

IUPAC4-(thiophen-2-ylmethoxy)-2-(trifluoromethyl)aniline
SMILESNc1ccc(OCc2cccs2)cc1C(F)(F)F
InChIInChI=1S/C12H10F3NOS/c13-12(14,15)10-6-8(3-4-11(10)16)17-7-9-2-1-5-18-9/h1-6H,7,16H2
InChIKeyAWZWKCVENGWAJX-UHFFFAOYSA-N
MW273.28 g/mol
LogP3.93
Rot. Bonds3

About 4-(thiophen-2-ylmethoxy)-2-(trifluoromethyl)aniline

4-(thiophen-2-ylmethoxy)-2-(trifluoromethyl)aniline (PubChem CID 54966555) has the molecular formula C12H10F3NOS and a molecular weight of 273.28 g/mol. Its IUPAC name is 4-(thiophen-2-ylmethoxy)-2-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-(thiophen-2-ylmethoxy)-2-(trifluoromethyl)aniline
PubChem CID54966555
Molecular FormulaC12H10F3NOS
Molecular Weight273.28 g/mol
Exact Mass273.04
IUPAC Name4-(thiophen-2-ylmethoxy)-2-(trifluoromethyl)aniline
SMILESNc1ccc(OCc2cccs2)cc1C(F)(F)F
InChIInChI=1S/C12H10F3NOS/c13-12(14,15)10-6-8(3-4-11(10)16)17-7-9-2-1-5-18-9/h1-6H,7,16H2
InChIKeyAWZWKCVENGWAJX-UHFFFAOYSA-N
XLogP3.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 53.93
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 4-(thiophen-2-ylmethoxy)-2-(trifluoromethyl)aniline?
The IUPAC name of 4-(thiophen-2-ylmethoxy)-2-(trifluoromethyl)aniline (CID 54966555) is 4-(thiophen-2-ylmethoxy)-2-(trifluoromethyl)aniline.
What is the SMILES notation for 4-(thiophen-2-ylmethoxy)-2-(trifluoromethyl)aniline?
The canonical SMILES for 4-(thiophen-2-ylmethoxy)-2-(trifluoromethyl)aniline is Nc1ccc(OCc2cccs2)cc1C(F)(F)F.
What is the InChIKey of 4-(thiophen-2-ylmethoxy)-2-(trifluoromethyl)aniline?
The InChIKey is AWZWKCVENGWAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NOS/c13-12(14,15)10-6-8(3-4-11(10)16)17-7-9-2-1-5-18-9/h1-6H,7,16H2.
What are the key properties of 4-(thiophen-2-ylmethoxy)-2-(trifluoromethyl)aniline?
4-(thiophen-2-ylmethoxy)-2-(trifluoromethyl)aniline has a molecular weight of 273.28 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thiophen-2-ylmethoxy)-2-(trifluoromethyl)aniline is sourced from PubChem (CID 54966555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).