1-(5-aminothiophen-2-yl)-2,2,2-trifluoroethanone

C6H4F3NOS — CID 10559748

IUPAC1-(5-aminothiophen-2-yl)-2,2,2-trifluoroethanone
SMILESNc1ccc(C(=O)C(F)(F)F)s1
InChIInChI=1S/C6H4F3NOS/c7-6(8,9)5(11)3-1-2-4(10)12-3/h1-2H,10H2
InChIKeyNUJZWUAFCUHGSF-UHFFFAOYSA-N
MW195.17 g/mol
LogP2.08
Rot. Bonds1

About 1-(5-aminothiophen-2-yl)-2,2,2-trifluoroethanone

1-(5-aminothiophen-2-yl)-2,2,2-trifluoroethanone (PubChem CID 10559748) has the molecular formula C6H4F3NOS and a molecular weight of 195.17 g/mol. Its IUPAC name is 1-(5-aminothiophen-2-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(5-aminothiophen-2-yl)-2,2,2-trifluoroethanone
PubChem CID10559748
Molecular FormulaC6H4F3NOS
Molecular Weight195.17 g/mol
Exact Mass195.00
IUPAC Name1-(5-aminothiophen-2-yl)-2,2,2-trifluoroethanone
SMILESNc1ccc(C(=O)C(F)(F)F)s1
InChIInChI=1S/C6H4F3NOS/c7-6(8,9)5(11)3-1-2-4(10)12-3/h1-2H,10H2
InChIKeyNUJZWUAFCUHGSF-UHFFFAOYSA-N
XLogP2.08
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.17
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-Aminothiophen-2-yl)ethanone
CID 520549
5-Aminothiophene-2-carbaldehyde
CID 10441714
1-(5-Azidothiophen-2-yl)-2,2,2-trifluoroethanone
CID 10704190
N-(5-acetylthiophen-2-yl)-2,2,2-trifluoroacetamide
CID 23330381
1-(4-Aminothiophen-2-yl)-2,2,2-trifluoroethanone
CID 82375054
5-Amino-3-fluorothiophene-2-carboxamide
CID 118978125
1-(5-Aminothiophen-2-yl)-4,4,4-trifluorobutane-1,3-dione
CID 151379602
1-(5-Aminothiophen-2-yl)-2,4,4-trifluorobutane-1,3-dione
CID 175025489
1-(5-Amino-2-methylthiophen-3-yl)-2,2,2-trifluoroethanone
CID 82395204
2,2,2-Trifluoro-1-(5-nitrothiophen-2-yl)ethan-1-one
CID 165593287
2,2-Difluoro-1-(5-nitrothiophen-2-yl)ethan-1-one
CID 165593293
Wycjeojuaqtpcb-uhfffaoysa-
CID 10725757

Frequently Asked Questions

What is the IUPAC name of 1-(5-aminothiophen-2-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(5-aminothiophen-2-yl)-2,2,2-trifluoroethanone (CID 10559748) is 1-(5-aminothiophen-2-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(5-aminothiophen-2-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(5-aminothiophen-2-yl)-2,2,2-trifluoroethanone is Nc1ccc(C(=O)C(F)(F)F)s1.
What is the InChIKey of 1-(5-aminothiophen-2-yl)-2,2,2-trifluoroethanone?
The InChIKey is NUJZWUAFCUHGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NOS/c7-6(8,9)5(11)3-1-2-4(10)12-3/h1-2H,10H2.
What are the key properties of 1-(5-aminothiophen-2-yl)-2,2,2-trifluoroethanone?
1-(5-aminothiophen-2-yl)-2,2,2-trifluoroethanone has a molecular weight of 195.17 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-aminothiophen-2-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 10559748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).