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

C11H7BrF3NS — CID 61318615

IUPAC2-(5-bromothiophen-2-yl)-5-(trifluoromethyl)aniline
SMILESNc1cc(C(F)(F)F)ccc1-c1ccc(Br)s1
InChIInChI=1S/C11H7BrF3NS/c12-10-4-3-9(17-10)7-2-1-6(5-8(7)16)11(13,14)15/h1-5H,16H2
InChIKeyGUKUXTOGGYASGJ-UHFFFAOYSA-N
MW322.15 g/mol
LogP4.78
Rot. Bonds1

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

2-(5-bromothiophen-2-yl)-5-(trifluoromethyl)aniline (PubChem CID 61318615) has the molecular formula C11H7BrF3NS and a molecular weight of 322.15 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-5-(trifluoromethyl)aniline
PubChem CID61318615
Molecular FormulaC11H7BrF3NS
Molecular Weight322.15 g/mol
Exact Mass320.94
IUPAC Name2-(5-bromothiophen-2-yl)-5-(trifluoromethyl)aniline
SMILESNc1cc(C(F)(F)F)ccc1-c1ccc(Br)s1
InChIInChI=1S/C11H7BrF3NS/c12-10-4-3-9(17-10)7-2-1-6(5-8(7)16)11(13,14)15/h1-5H,16H2
InChIKeyGUKUXTOGGYASGJ-UHFFFAOYSA-N
XLogP4.78
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.15
LogP ≤ 54.78
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-bromothiophen-2-yl)-5-(trifluoromethyl)aniline?
The IUPAC name of 2-(5-bromothiophen-2-yl)-5-(trifluoromethyl)aniline (CID 61318615) is 2-(5-bromothiophen-2-yl)-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-5-(trifluoromethyl)aniline?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-5-(trifluoromethyl)aniline is Nc1cc(C(F)(F)F)ccc1-c1ccc(Br)s1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-5-(trifluoromethyl)aniline?
The InChIKey is GUKUXTOGGYASGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrF3NS/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-bromothiophen-2-yl)-5-(trifluoromethyl)aniline?
2-(5-bromothiophen-2-yl)-5-(trifluoromethyl)aniline has a molecular weight of 322.15 g/mol, XLogP of 4.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-5-(trifluoromethyl)aniline is sourced from PubChem (CID 61318615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).