1-(5-aminothiophen-3-yl)-2,2,2-trifluoroethanone

C6H4F3NOS — CID 82372579

IUPAC1-(5-aminothiophen-3-yl)-2,2,2-trifluoroethanone
SMILESNc1cc(C(=O)C(F)(F)F)cs1
InChIInChI=1S/C6H4F3NOS/c7-6(8,9)5(11)3-1-4(10)12-2-3/h1-2H,10H2
InChIKeyDCPCFWQZSDETQZ-UHFFFAOYSA-N
MW195.17 g/mol
LogP2.08
Rot. Bonds1

About 1-(5-aminothiophen-3-yl)-2,2,2-trifluoroethanone

1-(5-aminothiophen-3-yl)-2,2,2-trifluoroethanone (PubChem CID 82372579) has the molecular formula C6H4F3NOS and a molecular weight of 195.17 g/mol. Its IUPAC name is 1-(5-aminothiophen-3-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(5-aminothiophen-3-yl)-2,2,2-trifluoroethanone
PubChem CID82372579
Molecular FormulaC6H4F3NOS
Molecular Weight195.17 g/mol
Exact Mass195.00
IUPAC Name1-(5-aminothiophen-3-yl)-2,2,2-trifluoroethanone
SMILESNc1cc(C(=O)C(F)(F)F)cs1
InChIInChI=1S/C6H4F3NOS/c7-6(8,9)5(11)3-1-4(10)12-2-3/h1-2H,10H2
InChIKeyDCPCFWQZSDETQZ-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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Frequently Asked Questions

What is the IUPAC name of 1-(5-aminothiophen-3-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(5-aminothiophen-3-yl)-2,2,2-trifluoroethanone (CID 82372579) is 1-(5-aminothiophen-3-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(5-aminothiophen-3-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(5-aminothiophen-3-yl)-2,2,2-trifluoroethanone is Nc1cc(C(=O)C(F)(F)F)cs1.
What is the InChIKey of 1-(5-aminothiophen-3-yl)-2,2,2-trifluoroethanone?
The InChIKey is DCPCFWQZSDETQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NOS/c7-6(8,9)5(11)3-1-4(10)12-2-3/h1-2H,10H2.
What are the key properties of 1-(5-aminothiophen-3-yl)-2,2,2-trifluoroethanone?
1-(5-aminothiophen-3-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-3-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 82372579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).