2,2,2-trifluoro-N-methyl-N-(thiophen-3-ylmethyl)acetamide

C8H8F3NOS — CID 62733557

IUPAC2,2,2-trifluoro-N-methyl-N-(thiophen-3-ylmethyl)acetamide
SMILESCN(Cc1ccsc1)C(=O)C(F)(F)F
InChIInChI=1S/C8H8F3NOS/c1-12(7(13)8(9,10)11)4-6-2-3-14-5-6/h2-3,5H,4H2,1H3
InChIKeyHUTKKZZNJKZVPB-UHFFFAOYSA-N
MW223.22 g/mol
LogP2.27
Rot. Bonds2

About 2,2,2-trifluoro-N-methyl-N-(thiophen-3-ylmethyl)acetamide

2,2,2-trifluoro-N-methyl-N-(thiophen-3-ylmethyl)acetamide (PubChem CID 62733557) has the molecular formula C8H8F3NOS and a molecular weight of 223.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-(thiophen-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-(thiophen-3-ylmethyl)acetamide
PubChem CID62733557
Molecular FormulaC8H8F3NOS
Molecular Weight223.22 g/mol
Exact Mass223.03
IUPAC Name2,2,2-trifluoro-N-methyl-N-(thiophen-3-ylmethyl)acetamide
SMILESCN(Cc1ccsc1)C(=O)C(F)(F)F
InChIInChI=1S/C8H8F3NOS/c1-12(7(13)8(9,10)11)4-6-2-3-14-5-6/h2-3,5H,4H2,1H3
InChIKeyHUTKKZZNJKZVPB-UHFFFAOYSA-N
XLogP2.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,2,2-trimethyl-N-(thiophen-3-ylmethyl)propanamide
CID 39966816
2-amino-N,2-dimethyl-N-(thiophen-3-ylmethyl)butanamide
CID 79797348
2-(ethylamino)-N,2-dimethyl-N-(thiophen-3-ylmethyl)propanamide
CID 62831220
N-cyclopropyl-2,2,2-trifluoro-N-(thiophen-3-ylmethyl)acetamide
CID 62728427
N,2-dimethyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)propanamide
CID 80548409
N-[(4-tert-butylphenyl)methyl]-2,2,2-trifluoro-N-methylacetamide
CID 62734869
N-[[4-(dimethylamino)phenyl]methyl]-2,2,2-trifluoro-N-methylacetamide
CID 62492005
2-[methyl-[methyl(thiophen-3-ylmethyl)carbamoyl]amino]acetic acid
CID 43528522
(E)-N,2-dimethyl-N-(thiophen-3-ylmethyl)pent-2-enamide
CID 94082032
2-(tert-butylamino)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 112723558
2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 103864932
2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)-3-(trifluoromethyl)benzamide
CID 79883708

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-(thiophen-3-ylmethyl)acetamide (CID 62733557) is 2,2,2-trifluoro-N-methyl-N-(thiophen-3-ylmethyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-(thiophen-3-ylmethyl)acetamide is CN(Cc1ccsc1)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
The InChIKey is HUTKKZZNJKZVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NOS/c1-12(7(13)8(9,10)11)4-6-2-3-14-5-6/h2-3,5H,4H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
2,2,2-trifluoro-N-methyl-N-(thiophen-3-ylmethyl)acetamide has a molecular weight of 223.22 g/mol, XLogP of 2.27, 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-(thiophen-3-ylmethyl)acetamide is sourced from PubChem (CID 62733557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).