1-[2-amino-5-(trifluoromethyl)phenyl]-2-thiophen-3-ylethanone

C13H10F3NOS — CID 112556312

IUPAC1-[2-amino-5-(trifluoromethyl)phenyl]-2-thiophen-3-ylethanone
SMILESNc1ccc(C(F)(F)F)cc1C(=O)Cc1ccsc1
InChIInChI=1S/C13H10F3NOS/c14-13(15,16)9-1-2-11(17)10(6-9)12(18)5-8-3-4-19-7-8/h1-4,6-7H,5,17H2
InChIKeyBOLXNGXMESUJPS-UHFFFAOYSA-N
MW285.29 g/mol
LogP3.77
Rot. Bonds3

About 1-[2-amino-5-(trifluoromethyl)phenyl]-2-thiophen-3-ylethanone

1-[2-amino-5-(trifluoromethyl)phenyl]-2-thiophen-3-ylethanone (PubChem CID 112556312) has the molecular formula C13H10F3NOS and a molecular weight of 285.29 g/mol. Its IUPAC name is 1-[2-amino-5-(trifluoromethyl)phenyl]-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-[2-amino-5-(trifluoromethyl)phenyl]-2-thiophen-3-ylethanone
PubChem CID112556312
Molecular FormulaC13H10F3NOS
Molecular Weight285.29 g/mol
Exact Mass285.04
IUPAC Name1-[2-amino-5-(trifluoromethyl)phenyl]-2-thiophen-3-ylethanone
SMILESNc1ccc(C(F)(F)F)cc1C(=O)Cc1ccsc1
InChIInChI=1S/C13H10F3NOS/c14-13(15,16)9-1-2-11(17)10(6-9)12(18)5-8-3-4-19-7-8/h1-4,6-7H,5,17H2
InChIKeyBOLXNGXMESUJPS-UHFFFAOYSA-N
XLogP3.77
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-amino-5-(trifluoromethyl)phenyl]-2-phenylethanone
CID 112556286
2-thiophen-3-yl-N-[4-(trifluoromethyl)phenyl]acetamide
CID 7962160
1-(4-amino-3-chlorophenyl)-2-thiophen-3-ylethanone
CID 116581909
1-(2-amino-5-tert-butylphenyl)-2-phenylethanone
CID 83988014
1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-thiophen-3-ylethanone
CID 106971932
1,1,1-trifluoro-3-thiophen-3-ylpropan-2-one
CID 14399209
1-(5-bromo-2-chlorophenyl)-2-thiophen-3-ylethanone
CID 61054270
4-amino-N-(thiophen-3-ylmethyl)-3-(trifluoromethyl)benzamide
CID 63247780
1-(5-bromo-2-methylphenyl)-2-thiophen-3-ylethanone
CID 65307868
2-amino-5-fluoro-N-(thiophen-3-ylmethyl)benzamide
CID 63248198
1-(2-chlorophenyl)-2-thiophen-3-ylethanone
CID 61054052
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-thiophen-3-ylacetate
CID 2344902

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-5-(trifluoromethyl)phenyl]-2-thiophen-3-ylethanone?
The IUPAC name of 1-[2-amino-5-(trifluoromethyl)phenyl]-2-thiophen-3-ylethanone (CID 112556312) is 1-[2-amino-5-(trifluoromethyl)phenyl]-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-[2-amino-5-(trifluoromethyl)phenyl]-2-thiophen-3-ylethanone?
The canonical SMILES for 1-[2-amino-5-(trifluoromethyl)phenyl]-2-thiophen-3-ylethanone is Nc1ccc(C(F)(F)F)cc1C(=O)Cc1ccsc1.
What is the InChIKey of 1-[2-amino-5-(trifluoromethyl)phenyl]-2-thiophen-3-ylethanone?
The InChIKey is BOLXNGXMESUJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NOS/c14-13(15,16)9-1-2-11(17)10(6-9)12(18)5-8-3-4-19-7-8/h1-4,6-7H,5,17H2.
What are the key properties of 1-[2-amino-5-(trifluoromethyl)phenyl]-2-thiophen-3-ylethanone?
1-[2-amino-5-(trifluoromethyl)phenyl]-2-thiophen-3-ylethanone has a molecular weight of 285.29 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-5-(trifluoromethyl)phenyl]-2-thiophen-3-ylethanone is sourced from PubChem (CID 112556312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).