2,2,2-trifluoro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide

C12H15F3N2O2S — CID 5177104

IUPAC2,2,2-trifluoro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide
SMILESO=C(NCC(c1cccs1)N1CCOCC1)C(F)(F)F
InChIInChI=1S/C12H15F3N2O2S/c13-12(14,15)11(18)16-8-9(10-2-1-7-20-10)17-3-5-19-6-4-17/h1-2,7,9H,3-6,8H2,(H,16,18)
InChIKeyGBLFBVLWNKQAHX-UHFFFAOYSA-N
MW308.32 g/mol
LogP1.80
Rot. Bonds4

About 2,2,2-trifluoro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide

2,2,2-trifluoro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide (PubChem CID 5177104) has the molecular formula C12H15F3N2O2S and a molecular weight of 308.32 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide
PubChem CID5177104
Molecular FormulaC12H15F3N2O2S
Molecular Weight308.32 g/mol
Exact Mass308.08
IUPAC Name2,2,2-trifluoro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide
SMILESO=C(NCC(c1cccs1)N1CCOCC1)C(F)(F)F
InChIInChI=1S/C12H15F3N2O2S/c13-12(14,15)11(18)16-8-9(10-2-1-7-20-10)17-3-5-19-6-4-17/h1-2,7,9H,3-6,8H2,(H,16,18)
InChIKeyGBLFBVLWNKQAHX-UHFFFAOYSA-N
XLogP1.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.32
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide (CID 5177104) is 2,2,2-trifluoro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide is O=C(NCC(c1cccs1)N1CCOCC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide?
The InChIKey is GBLFBVLWNKQAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2S/c13-12(14,15)11(18)16-8-9(10-2-1-7-20-10)17-3-5-19-6-4-17/h1-2,7,9H,3-6,8H2,(H,16,18).
What are the key properties of 2,2,2-trifluoro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide?
2,2,2-trifluoro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide has a molecular weight of 308.32 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 5177104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).