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

C12H14F3NO — CID 115190257

IUPAC2,2,2-trifluoro-N-[(2,4,5-trimethylphenyl)methyl]acetamide
SMILESCc1cc(C)c(CNC(=O)C(F)(F)F)cc1C
InChIInChI=1S/C12H14F3NO/c1-7-4-9(3)10(5-8(7)2)6-16-11(17)12(13,14)15/h4-5H,6H2,1-3H3,(H,16,17)
InChIKeyQJMWSRLJHAFNEQ-UHFFFAOYSA-N
MW245.24 g/mol
LogP2.79
Rot. Bonds2

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

2,2,2-trifluoro-N-[(2,4,5-trimethylphenyl)methyl]acetamide (PubChem CID 115190257) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(2,4,5-trimethylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(2,4,5-trimethylphenyl)methyl]acetamide
PubChem CID115190257
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name2,2,2-trifluoro-N-[(2,4,5-trimethylphenyl)methyl]acetamide
SMILESCc1cc(C)c(CNC(=O)C(F)(F)F)cc1C
InChIInChI=1S/C12H14F3NO/c1-7-4-9(3)10(5-8(7)2)6-16-11(17)12(13,14)15/h4-5H,6H2,1-3H3,(H,16,17)
InChIKeyQJMWSRLJHAFNEQ-UHFFFAOYSA-N
XLogP2.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2,2-trifluoro-N-[(4-methoxy-2,5-dimethylphenyl)methyl]acetamide
CID 115190244
N-[(4-amino-5-methoxy-2-methylphenyl)methyl]-2,2,2-trifluoroacetamide
CID 122629173
N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-2,2,2-trifluoroacetamide
CID 115190282
N-[(2,4,5-trimethylphenyl)methyl]propanamide
CID 110783031
1-tert-butyl-3-[(2,4,5-trimethylphenyl)methyl]urea
CID 110775170
2-sulfanyl-N-[(2,4,5-trimethylphenyl)methyl]acetamide
CID 115167183
2-methyl-2-[(2,4,5-trimethylphenyl)methylamino]propanoic acid
CID 115127969
2,2,2-trifluoro-N-[(5-fluoro-2-methoxyphenyl)methyl]acetamide
CID 115190235
2-hydroxy-N-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-methylpropanamide
CID 115178746
N-[(2,5-difluoro-4-methoxyphenyl)methyl]-2,2,2-trifluoroacetamide
CID 115190275
2,6-dimethyl-3-[[(2,2,2-trifluoroacetyl)amino]methyl]benzamide
CID 90019133
3-chloro-N-[(2,4,5-trimethylphenyl)methyl]propanamide
CID 115162512

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(2,4,5-trimethylphenyl)methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(2,4,5-trimethylphenyl)methyl]acetamide (CID 115190257) is 2,2,2-trifluoro-N-[(2,4,5-trimethylphenyl)methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(2,4,5-trimethylphenyl)methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(2,4,5-trimethylphenyl)methyl]acetamide is Cc1cc(C)c(CNC(=O)C(F)(F)F)cc1C.
What is the InChIKey of 2,2,2-trifluoro-N-[(2,4,5-trimethylphenyl)methyl]acetamide?
The InChIKey is QJMWSRLJHAFNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c1-7-4-9(3)10(5-8(7)2)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-[(2,4,5-trimethylphenyl)methyl]acetamide?
2,2,2-trifluoro-N-[(2,4,5-trimethylphenyl)methyl]acetamide has a molecular weight of 245.24 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(2,4,5-trimethylphenyl)methyl]acetamide is sourced from PubChem (CID 115190257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).