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

C9H10F3NOS — CID 79036747

IUPAC2,2,2-trifluoro-N-methyl-N-(2-thiophen-2-ylethyl)acetamide
SMILESCN(CCc1cccs1)C(=O)C(F)(F)F
InChIInChI=1S/C9H10F3NOS/c1-13(8(14)9(10,11)12)5-4-7-3-2-6-15-7/h2-3,6H,4-5H2,1H3
InChIKeyHZXBBFHKCXVMRQ-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.31
Rot. Bonds3

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

2,2,2-trifluoro-N-methyl-N-(2-thiophen-2-ylethyl)acetamide (PubChem CID 79036747) 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-(2-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-(2-thiophen-2-ylethyl)acetamide
PubChem CID79036747
Molecular FormulaC9H10F3NOS
Molecular Weight237.25 g/mol
Exact Mass237.04
IUPAC Name2,2,2-trifluoro-N-methyl-N-(2-thiophen-2-ylethyl)acetamide
SMILESCN(CCc1cccs1)C(=O)C(F)(F)F
InChIInChI=1S/C9H10F3NOS/c1-13(8(14)9(10,11)12)5-4-7-3-2-6-15-7/h2-3,6H,4-5H2,1H3
InChIKeyHZXBBFHKCXVMRQ-UHFFFAOYSA-N
XLogP2.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methyl-N-(2-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-(2-thiophen-2-ylethyl)acetamide (CID 79036747) is 2,2,2-trifluoro-N-methyl-N-(2-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-(2-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-(2-thiophen-2-ylethyl)acetamide is CN(CCc1cccs1)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-(2-thiophen-2-ylethyl)acetamide?
The InChIKey is HZXBBFHKCXVMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NOS/c1-13(8(14)9(10,11)12)5-4-7-3-2-6-15-7/h2-3,6H,4-5H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-methyl-N-(2-thiophen-2-ylethyl)acetamide?
2,2,2-trifluoro-N-methyl-N-(2-thiophen-2-ylethyl)acetamide has a molecular weight of 237.25 g/mol, XLogP of 2.31, 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-(2-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 79036747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).