(2-aminothiophen-3-yl)-[2-(trifluoromethyl)phenyl]methanone

C12H8F3NOS — CID 12630812

IUPAC(2-aminothiophen-3-yl)-[2-(trifluoromethyl)phenyl]methanone
SMILESNc1sccc1C(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C12H8F3NOS/c13-12(14,15)9-4-2-1-3-7(9)10(17)8-5-6-18-11(8)16/h1-6H,16H2
InChIKeyVTYBRLVIXCWAPX-UHFFFAOYSA-N
MW271.26 g/mol
LogP3.58
Rot. Bonds2

About (2-aminothiophen-3-yl)-[2-(trifluoromethyl)phenyl]methanone

(2-aminothiophen-3-yl)-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 12630812) has the molecular formula C12H8F3NOS and a molecular weight of 271.26 g/mol. Its IUPAC name is (2-aminothiophen-3-yl)-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(2-aminothiophen-3-yl)-[2-(trifluoromethyl)phenyl]methanone
PubChem CID12630812
Molecular FormulaC12H8F3NOS
Molecular Weight271.26 g/mol
Exact Mass271.03
IUPAC Name(2-aminothiophen-3-yl)-[2-(trifluoromethyl)phenyl]methanone
SMILESNc1sccc1C(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C12H8F3NOS/c13-12(14,15)9-4-2-1-3-7(9)10(17)8-5-6-18-11(8)16/h1-6H,16H2
InChIKeyVTYBRLVIXCWAPX-UHFFFAOYSA-N
XLogP3.58
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.26
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(trifluoromethyl)phenyl]thiophen-2-amine
CID 117222528
(2,5-dibromothiophen-3-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 43344981
(3-chloro-4-pyridinyl)-[2-(trifluoromethyl)phenyl]methanone
CID 105098119
(5-chlorothiophen-2-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 43338883
(2,5-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 43344618
(2-bromofuran-3-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 106856635
(3-amino-4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 116552312
(4-phenoxyphenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 163987169
potassium 2-(trifluoromethyl)benzoate
CID 162538888
(4-chloro-2,5-difluorophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 114971329
(3,5-dibromophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 107976795
1-(2-aminothiophen-3-yl)ethanone
CID 19908024

Frequently Asked Questions

What is the IUPAC name of (2-aminothiophen-3-yl)-[2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (2-aminothiophen-3-yl)-[2-(trifluoromethyl)phenyl]methanone (CID 12630812) is (2-aminothiophen-3-yl)-[2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (2-aminothiophen-3-yl)-[2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (2-aminothiophen-3-yl)-[2-(trifluoromethyl)phenyl]methanone is Nc1sccc1C(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of (2-aminothiophen-3-yl)-[2-(trifluoromethyl)phenyl]methanone?
The InChIKey is VTYBRLVIXCWAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NOS/c13-12(14,15)9-4-2-1-3-7(9)10(17)8-5-6-18-11(8)16/h1-6H,16H2.
What are the key properties of (2-aminothiophen-3-yl)-[2-(trifluoromethyl)phenyl]methanone?
(2-aminothiophen-3-yl)-[2-(trifluoromethyl)phenyl]methanone has a molecular weight of 271.26 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminothiophen-3-yl)-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 12630812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).