2,2,2-trifluoro-N-methyl-N-(2,3,4-trimethylphenyl)acetamide

C12H14F3NO — CID 115190221

IUPAC2,2,2-trifluoro-N-methyl-N-(2,3,4-trimethylphenyl)acetamide
SMILESCc1ccc(N(C)C(=O)C(F)(F)F)c(C)c1C
InChIInChI=1S/C12H14F3NO/c1-7-5-6-10(9(3)8(7)2)16(4)11(17)12(13,14)15/h5-6H,1-4H3
InChIKeyKMKRHGGUDWHDCH-UHFFFAOYSA-N
MW245.24 g/mol
LogP3.14
Rot. Bonds1

About 2,2,2-trifluoro-N-methyl-N-(2,3,4-trimethylphenyl)acetamide

2,2,2-trifluoro-N-methyl-N-(2,3,4-trimethylphenyl)acetamide (PubChem CID 115190221) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-(2,3,4-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-(2,3,4-trimethylphenyl)acetamide
PubChem CID115190221
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name2,2,2-trifluoro-N-methyl-N-(2,3,4-trimethylphenyl)acetamide
SMILESCc1ccc(N(C)C(=O)C(F)(F)F)c(C)c1C
InChIInChI=1S/C12H14F3NO/c1-7-5-6-10(9(3)8(7)2)16(4)11(17)12(13,14)15/h5-6H,1-4H3
InChIKeyKMKRHGGUDWHDCH-UHFFFAOYSA-N
XLogP3.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2,2-trifluoro-N-methyl-N-(2-methylphenyl)acetamide
CID 15256877
2,2,2-trifluoro-N-methyl-N-(2,4,5-trimethylphenyl)acetamide
CID 115190193
2,2,2-trifluoro-N-methyl-N-[2-[2-[methyl-(2,2,2-trifluoroacetyl)amino]phenyl]phenyl]acetamide
CID 162535694
3-amino-N,3-dimethyl-N-(2,3,4-trimethylphenyl)butanamide
CID 115154948
2,2,2-trifluoro-N-(4-methoxy-2,5-dimethylphenyl)-N-methylacetamide
CID 115190174
N-(2,5-dihydroxyphenyl)-2,2,2-trifluoro-N-methylacetamide
CID 10823626
2,2,2-trifluoro-N-(2-methoxy-5-methylphenyl)-N-methylacetamide
CID 115190160
N-[4-(dimethylamino)phenyl]-2,2,2-trifluoro-N-methylacetamide
CID 91720800
S-[2-[methyl-(2,2,2-trifluoroacetyl)amino]phenyl] 2,2,2-trifluoroethanethioate
CID 88930774
N-methyl-1-(methylaminomethyl)-N-(2,3,4-trimethylphenyl)cyclopropane-1-carboxamide
CID 115182984
3-methyl-2-[(N,2,3,4-tetramethylanilino)methyl]butanoic acid
CID 115250292
N-(2-ethyl-4-nitrophenyl)-2,2,2-trifluoro-N-methylacetamide
CID 91681069

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methyl-N-(2,3,4-trimethylphenyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-(2,3,4-trimethylphenyl)acetamide (CID 115190221) is 2,2,2-trifluoro-N-methyl-N-(2,3,4-trimethylphenyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-(2,3,4-trimethylphenyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-(2,3,4-trimethylphenyl)acetamide is Cc1ccc(N(C)C(=O)C(F)(F)F)c(C)c1C.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-(2,3,4-trimethylphenyl)acetamide?
The InChIKey is KMKRHGGUDWHDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c1-7-5-6-10(9(3)8(7)2)16(4)11(17)12(13,14)15/h5-6H,1-4H3.
What are the key properties of 2,2,2-trifluoro-N-methyl-N-(2,3,4-trimethylphenyl)acetamide?
2,2,2-trifluoro-N-methyl-N-(2,3,4-trimethylphenyl)acetamide has a molecular weight of 245.24 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methyl-N-(2,3,4-trimethylphenyl)acetamide is sourced from PubChem (CID 115190221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).