N-(3-acetamido-4,4,4-trifluorobutan-2-yl)acetamide

C8H13F3N2O2 — CID 87529424

IUPACN-(3-acetamido-4,4,4-trifluorobutan-2-yl)acetamide
SMILESCC(=O)NC(C)C(NC(C)=O)C(F)(F)F
InChIInChI=1S/C8H13F3N2O2/c1-4(12-5(2)14)7(8(9,10)11)13-6(3)15/h4,7H,1-3H3,(H,12,14)(H,13,15)
InChIKeyHRYUGNASBAFVFK-UHFFFAOYSA-N
MW226.20 g/mol
LogP0.58
Rot. Bonds3

About N-(3-acetamido-4,4,4-trifluorobutan-2-yl)acetamide

N-(3-acetamido-4,4,4-trifluorobutan-2-yl)acetamide (PubChem CID 87529424) has the molecular formula C8H13F3N2O2 and a molecular weight of 226.20 g/mol. Its IUPAC name is N-(3-acetamido-4,4,4-trifluorobutan-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-acetamido-4,4,4-trifluorobutan-2-yl)acetamide
PubChem CID87529424
Molecular FormulaC8H13F3N2O2
Molecular Weight226.20 g/mol
Exact Mass226.09
IUPAC NameN-(3-acetamido-4,4,4-trifluorobutan-2-yl)acetamide
SMILESCC(=O)NC(C)C(NC(C)=O)C(F)(F)F
InChIInChI=1S/C8H13F3N2O2/c1-4(12-5(2)14)7(8(9,10)11)13-6(3)15/h4,7H,1-3H3,(H,12,14)(H,13,15)
InChIKeyHRYUGNASBAFVFK-UHFFFAOYSA-N
XLogP0.58
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(3-acetamido-4,4,4-trifluorobutan-2-yl)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-(3-acetamido-4,4,4-trifluorobutan-2-yl)acetamide?
The IUPAC name of N-(3-acetamido-4,4,4-trifluorobutan-2-yl)acetamide (CID 87529424) is N-(3-acetamido-4,4,4-trifluorobutan-2-yl)acetamide.
What is the SMILES notation for N-(3-acetamido-4,4,4-trifluorobutan-2-yl)acetamide?
The canonical SMILES for N-(3-acetamido-4,4,4-trifluorobutan-2-yl)acetamide is CC(=O)NC(C)C(NC(C)=O)C(F)(F)F.
What is the InChIKey of N-(3-acetamido-4,4,4-trifluorobutan-2-yl)acetamide?
The InChIKey is HRYUGNASBAFVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O2/c1-4(12-5(2)14)7(8(9,10)11)13-6(3)15/h4,7H,1-3H3,(H,12,14)(H,13,15).
What are the key properties of N-(3-acetamido-4,4,4-trifluorobutan-2-yl)acetamide?
N-(3-acetamido-4,4,4-trifluorobutan-2-yl)acetamide has a molecular weight of 226.20 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4,4,4-trifluorobutan-2-yl)acetamide is sourced from PubChem (CID 87529424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).