2,2,2-trifluoro-N-[(2-methoxyphenyl)methyl]-N-methylacetamide

C11H12F3NO2 — CID 62735211

IUPAC2,2,2-trifluoro-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1ccccc1CN(C)C(=O)C(F)(F)F
InChIInChI=1S/C11H12F3NO2/c1-15(10(16)11(12,13)14)7-8-5-3-4-6-9(8)17-2/h3-6H,7H2,1-2H3
InChIKeyRYFZAXVZPWIILO-UHFFFAOYSA-N
MW247.22 g/mol
LogP2.22
Rot. Bonds3

About 2,2,2-trifluoro-N-[(2-methoxyphenyl)methyl]-N-methylacetamide

2,2,2-trifluoro-N-[(2-methoxyphenyl)methyl]-N-methylacetamide (PubChem CID 62735211) has the molecular formula C11H12F3NO2 and a molecular weight of 247.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(2-methoxyphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
PubChem CID62735211
Molecular FormulaC11H12F3NO2
Molecular Weight247.22 g/mol
Exact Mass247.08
IUPAC Name2,2,2-trifluoro-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1ccccc1CN(C)C(=O)C(F)(F)F
InChIInChI=1S/C11H12F3NO2/c1-15(10(16)11(12,13)14)7-8-5-3-4-6-9(8)17-2/h3-6H,7H2,1-2H3
InChIKeyRYFZAXVZPWIILO-UHFFFAOYSA-N
XLogP2.22
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 60630949
2-amino-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 60718962
3-[(2-methoxyphenyl)methyl-methylamino]-3-oxopropanoic acid
CID 62232246
1,1-diethyl-3-[(2-methoxyphenyl)methyl]-3-methylurea
CID 113233571
N-acetyl-N-[(2-methoxyphenyl)methyl]acetamide
CID 91715642
2,6-dihydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 103748911
(2S)-2-amino-N-[(2-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide
CID 61157066
methyl 2-[(2-methoxyphenyl)methyl-methylamino]-2-methylpropanoate
CID 115128504
3-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide
CID 61417620
3-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 94870765
N-benzyl-2,2,2-trifluoro-N-methylacetamide;O-methoxyhydroxylamine
CID 90893510
5-fluoro-2-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 79882419

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(2-methoxyphenyl)methyl]-N-methylacetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(2-methoxyphenyl)methyl]-N-methylacetamide (CID 62735211) is 2,2,2-trifluoro-N-[(2-methoxyphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(2-methoxyphenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(2-methoxyphenyl)methyl]-N-methylacetamide is COc1ccccc1CN(C)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(2-methoxyphenyl)methyl]-N-methylacetamide?
The InChIKey is RYFZAXVZPWIILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO2/c1-15(10(16)11(12,13)14)7-8-5-3-4-6-9(8)17-2/h3-6H,7H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-N-[(2-methoxyphenyl)methyl]-N-methylacetamide?
2,2,2-trifluoro-N-[(2-methoxyphenyl)methyl]-N-methylacetamide has a molecular weight of 247.22 g/mol, XLogP of 2.22, 3 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-[(2-methoxyphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 62735211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).