2,2,2-trifluoro-N-(2-methyl-2-thiophen-2-ylpropyl)acetamide

C10H12F3NOS — CID 78962853

IUPAC2,2,2-trifluoro-N-(2-methyl-2-thiophen-2-ylpropyl)acetamide
SMILESCC(C)(CNC(=O)C(F)(F)F)c1cccs1
InChIInChI=1S/C10H12F3NOS/c1-9(2,7-4-3-5-16-7)6-14-8(15)10(11,12)13/h3-5H,6H2,1-2H3,(H,14,15)
InChIKeyVUGPZEODBIWNOQ-UHFFFAOYSA-N
MW251.27 g/mol
LogP2.70
Rot. Bonds3

About 2,2,2-trifluoro-N-(2-methyl-2-thiophen-2-ylpropyl)acetamide

2,2,2-trifluoro-N-(2-methyl-2-thiophen-2-ylpropyl)acetamide (PubChem CID 78962853) has the molecular formula C10H12F3NOS and a molecular weight of 251.27 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-methyl-2-thiophen-2-ylpropyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-methyl-2-thiophen-2-ylpropyl)acetamide
PubChem CID78962853
Molecular FormulaC10H12F3NOS
Molecular Weight251.27 g/mol
Exact Mass251.06
IUPAC Name2,2,2-trifluoro-N-(2-methyl-2-thiophen-2-ylpropyl)acetamide
SMILESCC(C)(CNC(=O)C(F)(F)F)c1cccs1
InChIInChI=1S/C10H12F3NOS/c1-9(2,7-4-3-5-16-7)6-14-8(15)10(11,12)13/h3-5H,6H2,1-2H3,(H,14,15)
InChIKeyVUGPZEODBIWNOQ-UHFFFAOYSA-N
XLogP2.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 52.70
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-(2-methyl-2-thiophen-2-ylpropyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(2-methyl-2-thiophen-2-ylpropyl)acetamide (CID 78962853) is 2,2,2-trifluoro-N-(2-methyl-2-thiophen-2-ylpropyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-methyl-2-thiophen-2-ylpropyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(2-methyl-2-thiophen-2-ylpropyl)acetamide is CC(C)(CNC(=O)C(F)(F)F)c1cccs1.
What is the InChIKey of 2,2,2-trifluoro-N-(2-methyl-2-thiophen-2-ylpropyl)acetamide?
The InChIKey is VUGPZEODBIWNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NOS/c1-9(2,7-4-3-5-16-7)6-14-8(15)10(11,12)13/h3-5H,6H2,1-2H3,(H,14,15).
What are the key properties of 2,2,2-trifluoro-N-(2-methyl-2-thiophen-2-ylpropyl)acetamide?
2,2,2-trifluoro-N-(2-methyl-2-thiophen-2-ylpropyl)acetamide has a molecular weight of 251.27 g/mol, XLogP of 2.70, 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-(2-methyl-2-thiophen-2-ylpropyl)acetamide is sourced from PubChem (CID 78962853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).