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

C9H16F3NO3 — CID 103712043

IUPACN-(2-hydroxy-2-methylbutyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCCC(C)(O)CNC(=O)COCC(F)(F)F
InChIInChI=1S/C9H16F3NO3/c1-3-8(2,15)5-13-7(14)4-16-6-9(10,11)12/h15H,3-6H2,1-2H3,(H,13,14)
InChIKeyJRGAXFQGJQJYRX-UHFFFAOYSA-N
MW243.22 g/mol
LogP0.84
Rot. Bonds6

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

N-(2-hydroxy-2-methylbutyl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103712043) has the molecular formula C9H16F3NO3 and a molecular weight of 243.22 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylbutyl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylbutyl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103712043
Molecular FormulaC9H16F3NO3
Molecular Weight243.22 g/mol
Exact Mass243.11
IUPAC NameN-(2-hydroxy-2-methylbutyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCCC(C)(O)CNC(=O)COCC(F)(F)F
InChIInChI=1S/C9H16F3NO3/c1-3-8(2,15)5-13-7(14)4-16-6-9(10,11)12/h15H,3-6H2,1-2H3,(H,13,14)
InChIKeyJRGAXFQGJQJYRX-UHFFFAOYSA-N
XLogP0.84
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 50.84
H-Bond Donors ≤ 52
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-trifluoroethoxy)acetamide?
The IUPAC name of N-(2-hydroxy-2-methylbutyl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 103712043) is N-(2-hydroxy-2-methylbutyl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(2-hydroxy-2-methylbutyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(2-hydroxy-2-methylbutyl)-2-(2,2,2-trifluoroethoxy)acetamide is CCC(C)(O)CNC(=O)COCC(F)(F)F.
What is the InChIKey of N-(2-hydroxy-2-methylbutyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is JRGAXFQGJQJYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO3/c1-3-8(2,15)5-13-7(14)4-16-6-9(10,11)12/h15H,3-6H2,1-2H3,(H,13,14).
What are the key properties of N-(2-hydroxy-2-methylbutyl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(2-hydroxy-2-methylbutyl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 243.22 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 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-trifluoroethoxy)acetamide is sourced from PubChem (CID 103712043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).