N-[(2-hydroxyphenyl)methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide

C12H14F3NO3 — CID 87020089

IUPACN-[(2-hydroxyphenyl)methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCN(Cc1ccccc1O)C(=O)COCC(F)(F)F
InChIInChI=1S/C12H14F3NO3/c1-16(6-9-4-2-3-5-10(9)17)11(18)7-19-8-12(13,14)15/h2-5,17H,6-8H2,1H3
InChIKeyGVGAUQVNTKHYBY-UHFFFAOYSA-N
MW277.24 g/mol
LogP1.93
Rot. Bonds5

About N-[(2-hydroxyphenyl)methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide

N-[(2-hydroxyphenyl)methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 87020089) has the molecular formula C12H14F3NO3 and a molecular weight of 277.24 g/mol. Its IUPAC name is N-[(2-hydroxyphenyl)methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-[(2-hydroxyphenyl)methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID87020089
Molecular FormulaC12H14F3NO3
Molecular Weight277.24 g/mol
Exact Mass277.09
IUPAC NameN-[(2-hydroxyphenyl)methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCN(Cc1ccccc1O)C(=O)COCC(F)(F)F
InChIInChI=1S/C12H14F3NO3/c1-16(6-9-4-2-3-5-10(9)17)11(18)7-19-8-12(13,14)15/h2-5,17H,6-8H2,1H3
InChIKeyGVGAUQVNTKHYBY-UHFFFAOYSA-N
XLogP1.93
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxyphenyl)methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-[(2-hydroxyphenyl)methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide (CID 87020089) is N-[(2-hydroxyphenyl)methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-[(2-hydroxyphenyl)methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-[(2-hydroxyphenyl)methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide is CN(Cc1ccccc1O)C(=O)COCC(F)(F)F.
What is the InChIKey of N-[(2-hydroxyphenyl)methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is GVGAUQVNTKHYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO3/c1-16(6-9-4-2-3-5-10(9)17)11(18)7-19-8-12(13,14)15/h2-5,17H,6-8H2,1H3.
What are the key properties of N-[(2-hydroxyphenyl)methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide?
N-[(2-hydroxyphenyl)methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 277.24 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxyphenyl)methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 87020089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).