N-(2-hydroxy-2-methylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide

C9H17F3N2O2 — CID 79039347

IUPACN-(2-hydroxy-2-methylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCCC(C)(O)CNC(=O)CNCC(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c1-3-8(2,16)5-14-7(15)4-13-6-9(10,11)12/h13,16H,3-6H2,1-2H3,(H,14,15)
InChIKeyUOBZKOHNWIUCRV-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.42
Rot. Bonds6

About N-(2-hydroxy-2-methylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide

N-(2-hydroxy-2-methylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 79039347) has the molecular formula C9H17F3N2O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID79039347
Molecular FormulaC9H17F3N2O2
Molecular Weight242.24 g/mol
Exact Mass242.12
IUPAC NameN-(2-hydroxy-2-methylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCCC(C)(O)CNC(=O)CNCC(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c1-3-8(2,16)5-14-7(15)4-13-6-9(10,11)12/h13,16H,3-6H2,1-2H3,(H,14,15)
InChIKeyUOBZKOHNWIUCRV-UHFFFAOYSA-N
XLogP0.42
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(2-hydroxy-2-methylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 79039347) is N-(2-hydroxy-2-methylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(2-hydroxy-2-methylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(2-hydroxy-2-methylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide is CCC(C)(O)CNC(=O)CNCC(F)(F)F.
What is the InChIKey of N-(2-hydroxy-2-methylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is UOBZKOHNWIUCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2/c1-3-8(2,16)5-14-7(15)4-13-6-9(10,11)12/h13,16H,3-6H2,1-2H3,(H,14,15).
What are the key properties of N-(2-hydroxy-2-methylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(2-hydroxy-2-methylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 242.24 g/mol, XLogP of 0.42, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 79039347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).