2,2,2-trifluoro-N-(4-methoxy-2,5-dimethylphenyl)-N-methylacetamide

C12H14F3NO2 — CID 115190174

IUPAC2,2,2-trifluoro-N-(4-methoxy-2,5-dimethylphenyl)-N-methylacetamide
SMILESCOc1cc(C)c(N(C)C(=O)C(F)(F)F)cc1C
InChIInChI=1S/C12H14F3NO2/c1-7-6-10(18-4)8(2)5-9(7)16(3)11(17)12(13,14)15/h5-6H,1-4H3
InChIKeyBFKODVUCKXCAAA-UHFFFAOYSA-N
MW261.24 g/mol
LogP2.84
Rot. Bonds2

About 2,2,2-trifluoro-N-(4-methoxy-2,5-dimethylphenyl)-N-methylacetamide

2,2,2-trifluoro-N-(4-methoxy-2,5-dimethylphenyl)-N-methylacetamide (PubChem CID 115190174) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(4-methoxy-2,5-dimethylphenyl)-N-methylacetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(4-methoxy-2,5-dimethylphenyl)-N-methylacetamide
PubChem CID115190174
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC Name2,2,2-trifluoro-N-(4-methoxy-2,5-dimethylphenyl)-N-methylacetamide
SMILESCOc1cc(C)c(N(C)C(=O)C(F)(F)F)cc1C
InChIInChI=1S/C12H14F3NO2/c1-7-6-10(18-4)8(2)5-9(7)16(3)11(17)12(13,14)15/h5-6H,1-4H3
InChIKeyBFKODVUCKXCAAA-UHFFFAOYSA-N
XLogP2.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-N-methyl-N-(2,4,5-trimethylphenyl)acetamide
CID 115190193
3-amino-N-(4-methoxy-2,5-dimethylphenyl)-N,2,2-trimethylpropanamide
CID 115154573
2,2,2-trifluoro-N-(2-methoxy-5-methylphenyl)-N-methylacetamide
CID 115190160
methyl 2-(4-methoxy-N,2,5-trimethylanilino)-2-oxoacetate
CID 115142263
2-hydroxy-N-(2-methoxy-4,5-dimethylphenyl)-N,2-dimethylpropanamide
CID 115178640
2-cyano-N-(2-methoxy-4,5-dimethylphenyl)-N,2-dimethylpropanamide
CID 115175020
N-(4,5-dimethoxy-2-methylphenyl)-N-methylacetamide
CID 115191032
(4,5-dimethoxy-2-methylphenyl)-methylcarbamothioic S-acid
CID 115169847
N-(4,5-dimethoxy-2-methylphenyl)-N-methylcarbamoyl bromide
CID 115193445
N-(2-methoxy-4,5-dimethylphenyl)-N-methylacetamide
CID 115190996
2-cyano-N-(4-methoxy-2,5-dimethylphenyl)-N-methylbutanamide
CID 115188213
2,2,2-trifluoro-N-methyl-N-(2-methylphenyl)acetamide
CID 15256877

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(4-methoxy-2,5-dimethylphenyl)-N-methylacetamide?
The IUPAC name of 2,2,2-trifluoro-N-(4-methoxy-2,5-dimethylphenyl)-N-methylacetamide (CID 115190174) is 2,2,2-trifluoro-N-(4-methoxy-2,5-dimethylphenyl)-N-methylacetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(4-methoxy-2,5-dimethylphenyl)-N-methylacetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(4-methoxy-2,5-dimethylphenyl)-N-methylacetamide is COc1cc(C)c(N(C)C(=O)C(F)(F)F)cc1C.
What is the InChIKey of 2,2,2-trifluoro-N-(4-methoxy-2,5-dimethylphenyl)-N-methylacetamide?
The InChIKey is BFKODVUCKXCAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2/c1-7-6-10(18-4)8(2)5-9(7)16(3)11(17)12(13,14)15/h5-6H,1-4H3.
What are the key properties of 2,2,2-trifluoro-N-(4-methoxy-2,5-dimethylphenyl)-N-methylacetamide?
2,2,2-trifluoro-N-(4-methoxy-2,5-dimethylphenyl)-N-methylacetamide has a molecular weight of 261.24 g/mol, XLogP of 2.84, 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-(4-methoxy-2,5-dimethylphenyl)-N-methylacetamide is sourced from PubChem (CID 115190174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).