2-(5-fluorothiophen-2-yl)-5-(trifluoromethyl)aniline

C11H7F4NS — CID 155271467

IUPAC2-(5-fluorothiophen-2-yl)-5-(trifluoromethyl)aniline
SMILESNc1cc(C(F)(F)F)ccc1-c1ccc(F)s1
InChIInChI=1S/C11H7F4NS/c12-10-4-3-9(17-10)7-2-1-6(5-8(7)16)11(13,14)15/h1-5H,16H2
InChIKeyPIWDRCJTFQFYQL-UHFFFAOYSA-N
MW261.24 g/mol
LogP4.16
Rot. Bonds1

About 2-(5-fluorothiophen-2-yl)-5-(trifluoromethyl)aniline

2-(5-fluorothiophen-2-yl)-5-(trifluoromethyl)aniline (PubChem CID 155271467) has the molecular formula C11H7F4NS and a molecular weight of 261.24 g/mol. Its IUPAC name is 2-(5-fluorothiophen-2-yl)-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-(5-fluorothiophen-2-yl)-5-(trifluoromethyl)aniline
PubChem CID155271467
Molecular FormulaC11H7F4NS
Molecular Weight261.24 g/mol
Exact Mass261.02
IUPAC Name2-(5-fluorothiophen-2-yl)-5-(trifluoromethyl)aniline
SMILESNc1cc(C(F)(F)F)ccc1-c1ccc(F)s1
InChIInChI=1S/C11H7F4NS/c12-10-4-3-9(17-10)7-2-1-6(5-8(7)16)11(13,14)15/h1-5H,16H2
InChIKeyPIWDRCJTFQFYQL-UHFFFAOYSA-N
XLogP4.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(5-fluorothiophen-2-yl)-5-(trifluoromethyl)aniline 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 2-(5-fluorothiophen-2-yl)-5-(trifluoromethyl)aniline?
The IUPAC name of 2-(5-fluorothiophen-2-yl)-5-(trifluoromethyl)aniline (CID 155271467) is 2-(5-fluorothiophen-2-yl)-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2-(5-fluorothiophen-2-yl)-5-(trifluoromethyl)aniline?
The canonical SMILES for 2-(5-fluorothiophen-2-yl)-5-(trifluoromethyl)aniline is Nc1cc(C(F)(F)F)ccc1-c1ccc(F)s1.
What is the InChIKey of 2-(5-fluorothiophen-2-yl)-5-(trifluoromethyl)aniline?
The InChIKey is PIWDRCJTFQFYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F4NS/c12-10-4-3-9(17-10)7-2-1-6(5-8(7)16)11(13,14)15/h1-5H,16H2.
What are the key properties of 2-(5-fluorothiophen-2-yl)-5-(trifluoromethyl)aniline?
2-(5-fluorothiophen-2-yl)-5-(trifluoromethyl)aniline has a molecular weight of 261.24 g/mol, XLogP of 4.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluorothiophen-2-yl)-5-(trifluoromethyl)aniline is sourced from PubChem (CID 155271467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).