2-(thiophen-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide

C9H11F3N2OS — CID 60957825

IUPAC2-(thiophen-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNCc1ccsc1)NCC(F)(F)F
InChIInChI=1S/C9H11F3N2OS/c10-9(11,12)6-14-8(15)4-13-3-7-1-2-16-5-7/h1-2,5,13H,3-4,6H2,(H,14,15)
InChIKeyYSUYVRSGZZDXPU-UHFFFAOYSA-N
MW252.26 g/mol
LogP1.52
Rot. Bonds5

About 2-(thiophen-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide

2-(thiophen-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 60957825) has the molecular formula C9H11F3N2OS and a molecular weight of 252.26 g/mol. Its IUPAC name is 2-(thiophen-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(thiophen-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID60957825
Molecular FormulaC9H11F3N2OS
Molecular Weight252.26 g/mol
Exact Mass252.05
IUPAC Name2-(thiophen-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNCc1ccsc1)NCC(F)(F)F
InChIInChI=1S/C9H11F3N2OS/c10-9(11,12)6-14-8(15)4-13-3-7-1-2-16-5-7/h1-2,5,13H,3-4,6H2,(H,14,15)
InChIKeyYSUYVRSGZZDXPU-UHFFFAOYSA-N
XLogP1.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(thiophen-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(thiophen-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide (CID 60957825) is 2-(thiophen-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(thiophen-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(thiophen-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide is O=C(CNCc1ccsc1)NCC(F)(F)F.
What is the InChIKey of 2-(thiophen-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is YSUYVRSGZZDXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2OS/c10-9(11,12)6-14-8(15)4-13-3-7-1-2-16-5-7/h1-2,5,13H,3-4,6H2,(H,14,15).
What are the key properties of 2-(thiophen-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide?
2-(thiophen-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 252.26 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiophen-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 60957825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).