N-(2-ethyl-2-hydroxybutyl)-2-(2,2,2-trifluoroethoxy)acetamide

C10H18F3NO3 — CID 103711849

IUPACN-(2-ethyl-2-hydroxybutyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCCC(O)(CC)CNC(=O)COCC(F)(F)F
InChIInChI=1S/C10H18F3NO3/c1-3-9(16,4-2)6-14-8(15)5-17-7-10(11,12)13/h16H,3-7H2,1-2H3,(H,14,15)
InChIKeyVPTNQXHZVOKOLX-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.23
Rot. Bonds7

About N-(2-ethyl-2-hydroxybutyl)-2-(2,2,2-trifluoroethoxy)acetamide

N-(2-ethyl-2-hydroxybutyl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103711849) has the molecular formula C10H18F3NO3 and a molecular weight of 257.25 g/mol. Its IUPAC name is N-(2-ethyl-2-hydroxybutyl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(2-ethyl-2-hydroxybutyl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103711849
Molecular FormulaC10H18F3NO3
Molecular Weight257.25 g/mol
Exact Mass257.12
IUPAC NameN-(2-ethyl-2-hydroxybutyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCCC(O)(CC)CNC(=O)COCC(F)(F)F
InChIInChI=1S/C10H18F3NO3/c1-3-9(16,4-2)6-14-8(15)5-17-7-10(11,12)13/h16H,3-7H2,1-2H3,(H,14,15)
InChIKeyVPTNQXHZVOKOLX-UHFFFAOYSA-N
XLogP1.23
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-hydroxybutyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(2-ethyl-2-hydroxybutyl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 103711849) is N-(2-ethyl-2-hydroxybutyl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(2-ethyl-2-hydroxybutyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(2-ethyl-2-hydroxybutyl)-2-(2,2,2-trifluoroethoxy)acetamide is CCC(O)(CC)CNC(=O)COCC(F)(F)F.
What is the InChIKey of N-(2-ethyl-2-hydroxybutyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is VPTNQXHZVOKOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO3/c1-3-9(16,4-2)6-14-8(15)5-17-7-10(11,12)13/h16H,3-7H2,1-2H3,(H,14,15).
What are the key properties of N-(2-ethyl-2-hydroxybutyl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(2-ethyl-2-hydroxybutyl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 257.25 g/mol, XLogP of 1.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-hydroxybutyl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103711849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).