N-(4-hydroxy-2-methylbutyl)-2-(2,2,2-trifluoroethoxy)acetamide

C9H16F3NO3 — CID 103772857

IUPACN-(4-hydroxy-2-methylbutyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC(CCO)CNC(=O)COCC(F)(F)F
InChIInChI=1S/C9H16F3NO3/c1-7(2-3-14)4-13-8(15)5-16-6-9(10,11)12/h7,14H,2-6H2,1H3,(H,13,15)
InChIKeyDLQBMLIVYAAOBV-UHFFFAOYSA-N
MW243.22 g/mol
LogP0.70
Rot. Bonds7

About N-(4-hydroxy-2-methylbutyl)-2-(2,2,2-trifluoroethoxy)acetamide

N-(4-hydroxy-2-methylbutyl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103772857) has the molecular formula C9H16F3NO3 and a molecular weight of 243.22 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylbutyl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylbutyl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103772857
Molecular FormulaC9H16F3NO3
Molecular Weight243.22 g/mol
Exact Mass243.11
IUPAC NameN-(4-hydroxy-2-methylbutyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC(CCO)CNC(=O)COCC(F)(F)F
InChIInChI=1S/C9H16F3NO3/c1-7(2-3-14)4-13-8(15)5-16-6-9(10,11)12/h7,14H,2-6H2,1H3,(H,13,15)
InChIKeyDLQBMLIVYAAOBV-UHFFFAOYSA-N
XLogP0.70
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylbutyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(4-hydroxy-2-methylbutyl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 103772857) is N-(4-hydroxy-2-methylbutyl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(4-hydroxy-2-methylbutyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(4-hydroxy-2-methylbutyl)-2-(2,2,2-trifluoroethoxy)acetamide is CC(CCO)CNC(=O)COCC(F)(F)F.
What is the InChIKey of N-(4-hydroxy-2-methylbutyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is DLQBMLIVYAAOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO3/c1-7(2-3-14)4-13-8(15)5-16-6-9(10,11)12/h7,14H,2-6H2,1H3,(H,13,15).
What are the key properties of N-(4-hydroxy-2-methylbutyl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(4-hydroxy-2-methylbutyl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 243.22 g/mol, XLogP of 0.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylbutyl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103772857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).