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

C12H10F3NS — CID 61318406

IUPAC2-(5-methylthiophen-2-yl)-5-(trifluoromethyl)aniline
SMILESCc1ccc(-c2ccc(C(F)(F)F)cc2N)s1
InChIInChI=1S/C12H10F3NS/c1-7-2-5-11(17-7)9-4-3-8(6-10(9)16)12(13,14)15/h2-6H,16H2,1H3
InChIKeyAULLRXWTCXYXEG-UHFFFAOYSA-N
MW257.28 g/mol
LogP4.32
Rot. Bonds1

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

2-(5-methylthiophen-2-yl)-5-(trifluoromethyl)aniline (PubChem CID 61318406) has the molecular formula C12H10F3NS and a molecular weight of 257.28 g/mol. Its IUPAC name is 2-(5-methylthiophen-2-yl)-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-(5-methylthiophen-2-yl)-5-(trifluoromethyl)aniline
PubChem CID61318406
Molecular FormulaC12H10F3NS
Molecular Weight257.28 g/mol
Exact Mass257.05
IUPAC Name2-(5-methylthiophen-2-yl)-5-(trifluoromethyl)aniline
SMILESCc1ccc(-c2ccc(C(F)(F)F)cc2N)s1
InChIInChI=1S/C12H10F3NS/c1-7-2-5-11(17-7)9-4-3-8(6-10(9)16)12(13,14)15/h2-6H,16H2,1H3
InChIKeyAULLRXWTCXYXEG-UHFFFAOYSA-N
XLogP4.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylthiophen-2-yl)-5-(trifluoromethyl)aniline?
The IUPAC name of 2-(5-methylthiophen-2-yl)-5-(trifluoromethyl)aniline (CID 61318406) is 2-(5-methylthiophen-2-yl)-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2-(5-methylthiophen-2-yl)-5-(trifluoromethyl)aniline?
The canonical SMILES for 2-(5-methylthiophen-2-yl)-5-(trifluoromethyl)aniline is Cc1ccc(-c2ccc(C(F)(F)F)cc2N)s1.
What is the InChIKey of 2-(5-methylthiophen-2-yl)-5-(trifluoromethyl)aniline?
The InChIKey is AULLRXWTCXYXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NS/c1-7-2-5-11(17-7)9-4-3-8(6-10(9)16)12(13,14)15/h2-6H,16H2,1H3.
What are the key properties of 2-(5-methylthiophen-2-yl)-5-(trifluoromethyl)aniline?
2-(5-methylthiophen-2-yl)-5-(trifluoromethyl)aniline has a molecular weight of 257.28 g/mol, XLogP of 4.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylthiophen-2-yl)-5-(trifluoromethyl)aniline is sourced from PubChem (CID 61318406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).