2,2,2-trifluoro-N-[(4-methoxy-2,5-dimethylphenyl)methyl]acetamide

C12H14F3NO2 — CID 115190244

IUPAC2,2,2-trifluoro-N-[(4-methoxy-2,5-dimethylphenyl)methyl]acetamide
SMILESCOc1cc(C)c(CNC(=O)C(F)(F)F)cc1C
InChIInChI=1S/C12H14F3NO2/c1-7-5-10(18-3)8(2)4-9(7)6-16-11(17)12(13,14)15/h4-5H,6H2,1-3H3,(H,16,17)
InChIKeyLBQRUUREYUVWSI-UHFFFAOYSA-N
MW261.24 g/mol
LogP2.49
Rot. Bonds3

About 2,2,2-trifluoro-N-[(4-methoxy-2,5-dimethylphenyl)methyl]acetamide

2,2,2-trifluoro-N-[(4-methoxy-2,5-dimethylphenyl)methyl]acetamide (PubChem CID 115190244) 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)methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(4-methoxy-2,5-dimethylphenyl)methyl]acetamide
PubChem CID115190244
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC Name2,2,2-trifluoro-N-[(4-methoxy-2,5-dimethylphenyl)methyl]acetamide
SMILESCOc1cc(C)c(CNC(=O)C(F)(F)F)cc1C
InChIInChI=1S/C12H14F3NO2/c1-7-5-10(18-3)8(2)4-9(7)6-16-11(17)12(13,14)15/h4-5H,6H2,1-3H3,(H,16,17)
InChIKeyLBQRUUREYUVWSI-UHFFFAOYSA-N
XLogP2.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-N-[(2,4,5-trimethylphenyl)methyl]acetamide
CID 115190257
2-hydroxy-N-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-methylpropanamide
CID 115178746
N-[(4-amino-5-methoxy-2-methylphenyl)methyl]-2,2,2-trifluoroacetamide
CID 122629173
N-[(4-methoxy-2,5-dimethylphenyl)methyl]-3-oxobutanamide
CID 115176376
2,2,2-trifluoro-N-[(5-fluoro-2-methoxyphenyl)methyl]acetamide
CID 115190235
N-[(2,5-difluoro-4-methoxyphenyl)methyl]-2,2,2-trifluoroacetamide
CID 115190275
ethyl 2-[(4-methoxy-2,5-dimethylphenyl)methylamino]-2-oxoacetate
CID 115141968
N-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-(2-methoxyphenyl)acetamide
CID 110780829
2,2-difluoro-3-(4-methoxy-2,5-dimethylphenyl)propanoic acid
CID 116838235
methyl 2-[(4-methoxy-2,5-dimethylphenyl)methylamino]acetate
CID 115232862
1-[(4-methoxy-2,5-dimethylphenyl)methylamino]propan-2-one
CID 115234701
N-[(4,5-dimethoxy-2-methylphenyl)methyl]carbamoyl bromide
CID 115193611

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(4-methoxy-2,5-dimethylphenyl)methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(4-methoxy-2,5-dimethylphenyl)methyl]acetamide (CID 115190244) is 2,2,2-trifluoro-N-[(4-methoxy-2,5-dimethylphenyl)methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(4-methoxy-2,5-dimethylphenyl)methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(4-methoxy-2,5-dimethylphenyl)methyl]acetamide is COc1cc(C)c(CNC(=O)C(F)(F)F)cc1C.
What is the InChIKey of 2,2,2-trifluoro-N-[(4-methoxy-2,5-dimethylphenyl)methyl]acetamide?
The InChIKey is LBQRUUREYUVWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2/c1-7-5-10(18-3)8(2)4-9(7)6-16-11(17)12(13,14)15/h4-5H,6H2,1-3H3,(H,16,17).
What are the key properties of 2,2,2-trifluoro-N-[(4-methoxy-2,5-dimethylphenyl)methyl]acetamide?
2,2,2-trifluoro-N-[(4-methoxy-2,5-dimethylphenyl)methyl]acetamide has a molecular weight of 261.24 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 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)methyl]acetamide is sourced from PubChem (CID 115190244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).