2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide

C9H17F3N2O2 — CID 78964524

IUPAC2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(=O)NCC(F)(F)F)CC(C)(C)O
InChIInChI=1S/C9H17F3N2O2/c1-8(2,16)6-14(3)4-7(15)13-5-9(10,11)12/h16H,4-6H2,1-3H3,(H,13,15)
InChIKeyARVKOGOKZJGYDK-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.37
Rot. Bonds5

About 2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide

2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 78964524) has the molecular formula C9H17F3N2O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID78964524
Molecular FormulaC9H17F3N2O2
Molecular Weight242.24 g/mol
Exact Mass242.12
IUPAC Name2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(=O)NCC(F)(F)F)CC(C)(C)O
InChIInChI=1S/C9H17F3N2O2/c1-8(2,16)6-14(3)4-7(15)13-5-9(10,11)12/h16H,4-6H2,1-3H3,(H,13,15)
InChIKeyARVKOGOKZJGYDK-UHFFFAOYSA-N
XLogP0.37
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide (CID 78964524) is 2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide is CN(CC(=O)NCC(F)(F)F)CC(C)(C)O.
What is the InChIKey of 2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is ARVKOGOKZJGYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2/c1-8(2,16)6-14(3)4-7(15)13-5-9(10,11)12/h16H,4-6H2,1-3H3,(H,13,15).
What are the key properties of 2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 242.24 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 78964524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).