2,2,2-trifluoro-N-methyl-N-(2,4,5-trimethylphenyl)acetamide

C12H14F3NO — CID 115190193

IUPAC2,2,2-trifluoro-N-methyl-N-(2,4,5-trimethylphenyl)acetamide
SMILESCc1cc(C)c(N(C)C(=O)C(F)(F)F)cc1C
InChIInChI=1S/C12H14F3NO/c1-7-5-9(3)10(6-8(7)2)16(4)11(17)12(13,14)15/h5-6H,1-4H3
InChIKeyHIRLVADHSJCOHW-UHFFFAOYSA-N
MW245.24 g/mol
LogP3.14
Rot. Bonds1

About 2,2,2-trifluoro-N-methyl-N-(2,4,5-trimethylphenyl)acetamide

2,2,2-trifluoro-N-methyl-N-(2,4,5-trimethylphenyl)acetamide (PubChem CID 115190193) 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-(2,4,5-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-(2,4,5-trimethylphenyl)acetamide
PubChem CID115190193
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name2,2,2-trifluoro-N-methyl-N-(2,4,5-trimethylphenyl)acetamide
SMILESCc1cc(C)c(N(C)C(=O)C(F)(F)F)cc1C
InChIInChI=1S/C12H14F3NO/c1-7-5-9(3)10(6-8(7)2)16(4)11(17)12(13,14)15/h5-6H,1-4H3
InChIKeyHIRLVADHSJCOHW-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-(4-methoxy-2,5-dimethylphenyl)-N-methylacetamide
CID 115190174
2,2,2-trifluoro-N-methyl-N-(2-methylphenyl)acetamide
CID 15256877
2,2,2-trifluoro-N-methyl-N-(2,3,4-trimethylphenyl)acetamide
CID 115190221
N-(2,5-dihydroxyphenyl)-2,2,2-trifluoro-N-methylacetamide
CID 10823626
N-(2-amino-4,5-dimethylphenyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide
CID 101057685
2,2,2-trifluoro-N-(2-methoxy-5-methylphenyl)-N-methylacetamide
CID 115190160
1,3-dimethyl-1-(2,4,5-trimethylphenyl)urea
CID 115169018
2-amino-N-methyl-N-(2,4,5-trimethylphenyl)acetamide
CID 82492268
2,2,2-trifluoro-N-methyl-N-[2-[2-[methyl-(2,2,2-trifluoroacetyl)amino]phenyl]phenyl]acetamide
CID 162535694
3-hydroxy-N-methyl-N-(2,4,5-trimethylphenyl)propanamide
CID 115138886
4-amino-N,4-dimethyl-N-(2,4,5-trimethylphenyl)pentanamide
CID 115157554
3-amino-N-(4-methoxy-2,5-dimethylphenyl)-N,2,2-trimethylpropanamide
CID 115154573

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methyl-N-(2,4,5-trimethylphenyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-(2,4,5-trimethylphenyl)acetamide (CID 115190193) is 2,2,2-trifluoro-N-methyl-N-(2,4,5-trimethylphenyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-(2,4,5-trimethylphenyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-(2,4,5-trimethylphenyl)acetamide is Cc1cc(C)c(N(C)C(=O)C(F)(F)F)cc1C.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-(2,4,5-trimethylphenyl)acetamide?
The InChIKey is HIRLVADHSJCOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c1-7-5-9(3)10(6-8(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-(2,4,5-trimethylphenyl)acetamide?
2,2,2-trifluoro-N-methyl-N-(2,4,5-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-(2,4,5-trimethylphenyl)acetamide is sourced from PubChem (CID 115190193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).