2-(2-thiophen-2-ylethylamino)-N-(2,2,2-trifluoroethyl)acetamide

C10H13F3N2OS — CID 60646754

IUPAC2-(2-thiophen-2-ylethylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNCCc1cccs1)NCC(F)(F)F
InChIInChI=1S/C10H13F3N2OS/c11-10(12,13)7-15-9(16)6-14-4-3-8-2-1-5-17-8/h1-2,5,14H,3-4,6-7H2,(H,15,16)
InChIKeyDVTVNTJIPCMHFB-UHFFFAOYSA-N
MW266.29 g/mol
LogP1.56
Rot. Bonds6

About 2-(2-thiophen-2-ylethylamino)-N-(2,2,2-trifluoroethyl)acetamide

2-(2-thiophen-2-ylethylamino)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 60646754) has the molecular formula C10H13F3N2OS and a molecular weight of 266.29 g/mol. Its IUPAC name is 2-(2-thiophen-2-ylethylamino)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(2-thiophen-2-ylethylamino)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID60646754
Molecular FormulaC10H13F3N2OS
Molecular Weight266.29 g/mol
Exact Mass266.07
IUPAC Name2-(2-thiophen-2-ylethylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNCCc1cccs1)NCC(F)(F)F
InChIInChI=1S/C10H13F3N2OS/c11-10(12,13)7-15-9(16)6-14-4-3-8-2-1-5-17-8/h1-2,5,14H,3-4,6-7H2,(H,15,16)
InChIKeyDVTVNTJIPCMHFB-UHFFFAOYSA-N
XLogP1.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-thiophen-2-ylethylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(2-thiophen-2-ylethylamino)-N-(2,2,2-trifluoroethyl)acetamide (CID 60646754) is 2-(2-thiophen-2-ylethylamino)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(2-thiophen-2-ylethylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(2-thiophen-2-ylethylamino)-N-(2,2,2-trifluoroethyl)acetamide is O=C(CNCCc1cccs1)NCC(F)(F)F.
What is the InChIKey of 2-(2-thiophen-2-ylethylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is DVTVNTJIPCMHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2OS/c11-10(12,13)7-15-9(16)6-14-4-3-8-2-1-5-17-8/h1-2,5,14H,3-4,6-7H2,(H,15,16).
What are the key properties of 2-(2-thiophen-2-ylethylamino)-N-(2,2,2-trifluoroethyl)acetamide?
2-(2-thiophen-2-ylethylamino)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 266.29 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-thiophen-2-ylethylamino)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 60646754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).