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

C10H12F3NOS — CID 79487463

IUPAC2,2,2-trifluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)acetamide
SMILESCC(Cc1cccs1)N(C)C(=O)C(F)(F)F
InChIInChI=1S/C10H12F3NOS/c1-7(6-8-4-3-5-16-8)14(2)9(15)10(11,12)13/h3-5,7H,6H2,1-2H3
InChIKeyPMKXXQQKVYWHOX-UHFFFAOYSA-N
MW251.27 g/mol
LogP2.70
Rot. Bonds3

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

2,2,2-trifluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)acetamide (PubChem CID 79487463) has the molecular formula C10H12F3NOS and a molecular weight of 251.27 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)acetamide
PubChem CID79487463
Molecular FormulaC10H12F3NOS
Molecular Weight251.27 g/mol
Exact Mass251.06
IUPAC Name2,2,2-trifluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)acetamide
SMILESCC(Cc1cccs1)N(C)C(=O)C(F)(F)F
InChIInChI=1S/C10H12F3NOS/c1-7(6-8-4-3-5-16-8)14(2)9(15)10(11,12)13/h3-5,7H,6H2,1-2H3
InChIKeyPMKXXQQKVYWHOX-UHFFFAOYSA-N
XLogP2.70
TPSA20.31 Ų
H-Bond Donors
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 ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,2,2-trifluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)acetamide (CID 79487463) is 2,2,2-trifluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)acetamide is CC(Cc1cccs1)N(C)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)acetamide?
The InChIKey is PMKXXQQKVYWHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NOS/c1-7(6-8-4-3-5-16-8)14(2)9(15)10(11,12)13/h3-5,7H,6H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)acetamide?
2,2,2-trifluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)acetamide has a molecular weight of 251.27 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)acetamide is sourced from PubChem (CID 79487463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).