N-(1-hydroxy-3-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide

C9H16F3NO3 — CID 103209141

IUPACN-(1-hydroxy-3-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC(C)C(CO)NC(=O)COCC(F)(F)F
InChIInChI=1S/C9H16F3NO3/c1-6(2)7(3-14)13-8(15)4-16-5-9(10,11)12/h6-7,14H,3-5H2,1-2H3,(H,13,15)
InChIKeyLTLXTBPTOWNRHW-UHFFFAOYSA-N
MW243.22 g/mol
LogP0.70
Rot. Bonds6

About N-(1-hydroxy-3-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide

N-(1-hydroxy-3-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103209141) has the molecular formula C9H16F3NO3 and a molecular weight of 243.22 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103209141
Molecular FormulaC9H16F3NO3
Molecular Weight243.22 g/mol
Exact Mass243.11
IUPAC NameN-(1-hydroxy-3-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC(C)C(CO)NC(=O)COCC(F)(F)F
InChIInChI=1S/C9H16F3NO3/c1-6(2)7(3-14)13-8(15)4-16-5-9(10,11)12/h6-7,14H,3-5H2,1-2H3,(H,13,15)
InChIKeyLTLXTBPTOWNRHW-UHFFFAOYSA-N
XLogP0.70
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 ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1-hydroxy-3-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(1-hydroxy-3-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 103209141) is N-(1-hydroxy-3-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(1-hydroxy-3-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(1-hydroxy-3-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide is CC(C)C(CO)NC(=O)COCC(F)(F)F.
What is the InChIKey of N-(1-hydroxy-3-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is LTLXTBPTOWNRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO3/c1-6(2)7(3-14)13-8(15)4-16-5-9(10,11)12/h6-7,14H,3-5H2,1-2H3,(H,13,15).
What are the key properties of N-(1-hydroxy-3-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(1-hydroxy-3-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 243.22 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103209141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).