2,2,2-trifluoro-N-(1-thiophen-2-ylpropan-2-yl)acetamide

C9H10F3NOS — CID 12519430

IUPAC2,2,2-trifluoro-N-(1-thiophen-2-ylpropan-2-yl)acetamide
SMILESCC(Cc1cccs1)NC(=O)C(F)(F)F
InChIInChI=1S/C9H10F3NOS/c1-6(5-7-3-2-4-15-7)13-8(14)9(10,11)12/h2-4,6H,5H2,1H3,(H,13,14)
InChIKeyLNTFRQJYFKWNJM-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.36
Rot. Bonds3

About 2,2,2-trifluoro-N-(1-thiophen-2-ylpropan-2-yl)acetamide

2,2,2-trifluoro-N-(1-thiophen-2-ylpropan-2-yl)acetamide (PubChem CID 12519430) has the molecular formula C9H10F3NOS and a molecular weight of 237.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(1-thiophen-2-ylpropan-2-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(1-thiophen-2-ylpropan-2-yl)acetamide
PubChem CID12519430
Molecular FormulaC9H10F3NOS
Molecular Weight237.25 g/mol
Exact Mass237.04
IUPAC Name2,2,2-trifluoro-N-(1-thiophen-2-ylpropan-2-yl)acetamide
SMILESCC(Cc1cccs1)NC(=O)C(F)(F)F
InChIInChI=1S/C9H10F3NOS/c1-6(5-7-3-2-4-15-7)13-8(14)9(10,11)12/h2-4,6H,5H2,1H3,(H,13,14)
InChIKeyLNTFRQJYFKWNJM-UHFFFAOYSA-N
XLogP2.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(1-thiophen-2-ylpropan-2-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(1-thiophen-2-ylpropan-2-yl)acetamide (CID 12519430) is 2,2,2-trifluoro-N-(1-thiophen-2-ylpropan-2-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(1-thiophen-2-ylpropan-2-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(1-thiophen-2-ylpropan-2-yl)acetamide is CC(Cc1cccs1)NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(1-thiophen-2-ylpropan-2-yl)acetamide?
The InChIKey is LNTFRQJYFKWNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NOS/c1-6(5-7-3-2-4-15-7)13-8(14)9(10,11)12/h2-4,6H,5H2,1H3,(H,13,14).
What are the key properties of 2,2,2-trifluoro-N-(1-thiophen-2-ylpropan-2-yl)acetamide?
2,2,2-trifluoro-N-(1-thiophen-2-ylpropan-2-yl)acetamide has a molecular weight of 237.25 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(1-thiophen-2-ylpropan-2-yl)acetamide is sourced from PubChem (CID 12519430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).