2,2,2-trifluoro-N-methyl-N-(2-methylphenyl)acetamide

C10H10F3NO — CID 15256877

IUPAC2,2,2-trifluoro-N-methyl-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1N(C)C(=O)C(F)(F)F
InChIInChI=1S/C10H10F3NO/c1-7-5-3-4-6-8(7)14(2)9(15)10(11,12)13/h3-6H,1-2H3
InChIKeyYEXXRAVVOQDXOJ-UHFFFAOYSA-N
MW217.19 g/mol
LogP2.52
Rot. Bonds1

About 2,2,2-trifluoro-N-methyl-N-(2-methylphenyl)acetamide

2,2,2-trifluoro-N-methyl-N-(2-methylphenyl)acetamide (PubChem CID 15256877) has the molecular formula C10H10F3NO and a molecular weight of 217.19 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-(2-methylphenyl)acetamide
PubChem CID15256877
Molecular FormulaC10H10F3NO
Molecular Weight217.19 g/mol
Exact Mass217.07
IUPAC Name2,2,2-trifluoro-N-methyl-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1N(C)C(=O)C(F)(F)F
InChIInChI=1S/C10H10F3NO/c1-7-5-3-4-6-8(7)14(2)9(15)10(11,12)13/h3-6H,1-2H3
InChIKeyYEXXRAVVOQDXOJ-UHFFFAOYSA-N
XLogP2.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2,2-trifluoro-N-methyl-N-[2-[2-[methyl-(2,2,2-trifluoroacetyl)amino]phenyl]phenyl]acetamide
CID 162535694
3-(N,2-dimethylanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 82821859
2,2,2-trifluoro-N-methyl-N-(2,3,4-trimethylphenyl)acetamide
CID 115190221
2,2,2-trifluoro-N-methyl-N-(2,4,5-trimethylphenyl)acetamide
CID 115190193
S-[2-[methyl-(2,2,2-trifluoroacetyl)amino]phenyl] 2,2,2-trifluoroethanethioate
CID 88930774
N-methyl-N-(2-methylphenyl)carbamate
CID 21115000
N-(2-methylphenyl)-N-(trifluoromethyl)acetamide
CID 56944924
3-tert-butyl-1-methyl-1-(2-methylphenyl)urea
CID 116655388
N,2-dimethyl-N-(2-methylphenyl)benzamide
CID 71395326
2,2,2-trifluoro-N-methyl-N-(2-methylphenyl)-N'-propan-2-ylethanimidamide
CID 129089521
2-amino-N-methyl-N-(2-methylphenyl)acetamide
CID 28794373
2-(dimethylamino)-N-methyl-N-(2-methylphenyl)acetamide
CID 21343400

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methyl-N-(2-methylphenyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-(2-methylphenyl)acetamide (CID 15256877) is 2,2,2-trifluoro-N-methyl-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-(2-methylphenyl)acetamide is Cc1ccccc1N(C)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-(2-methylphenyl)acetamide?
The InChIKey is YEXXRAVVOQDXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO/c1-7-5-3-4-6-8(7)14(2)9(15)10(11,12)13/h3-6H,1-2H3.
What are the key properties of 2,2,2-trifluoro-N-methyl-N-(2-methylphenyl)acetamide?
2,2,2-trifluoro-N-methyl-N-(2-methylphenyl)acetamide has a molecular weight of 217.19 g/mol, XLogP of 2.52, 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-methylphenyl)acetamide is sourced from PubChem (CID 15256877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).