2,2,2-trifluoro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide

C9H10F3NOS — CID 62491824

IUPAC2,2,2-trifluoro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
SMILESCc1ccsc1CN(C)C(=O)C(F)(F)F
InChIInChI=1S/C9H10F3NOS/c1-6-3-4-15-7(6)5-13(2)8(14)9(10,11)12/h3-4H,5H2,1-2H3
InChIKeyQNQNGYAILGBEID-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.58
Rot. Bonds2

About 2,2,2-trifluoro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide

2,2,2-trifluoro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide (PubChem CID 62491824) has the molecular formula C9H10F3NOS and a molecular weight of 237.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
PubChem CID62491824
Molecular FormulaC9H10F3NOS
Molecular Weight237.25 g/mol
Exact Mass237.04
IUPAC Name2,2,2-trifluoro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
SMILESCc1ccsc1CN(C)C(=O)C(F)(F)F
InChIInChI=1S/C9H10F3NOS/c1-6-3-4-15-7(6)5-13(2)8(14)9(10,11)12/h3-4H,5H2,1-2H3
InChIKeyQNQNGYAILGBEID-UHFFFAOYSA-N
XLogP2.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,2,2-trifluoro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]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-[(3-methylthiophen-2-yl)methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide (CID 62491824) is 2,2,2-trifluoro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide is Cc1ccsc1CN(C)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The InChIKey is QNQNGYAILGBEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NOS/c1-6-3-4-15-7(6)5-13(2)8(14)9(10,11)12/h3-4H,5H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide?
2,2,2-trifluoro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide has a molecular weight of 237.25 g/mol, XLogP of 2.58, 2 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-[(3-methylthiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 62491824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).