N-(1,1,1-trifluoro-5-oxo-3-propan-2-ylhexan-3-yl)acetamide

C11H18F3NO2 — CID 23192791

IUPACN-(1,1,1-trifluoro-5-oxo-3-propan-2-ylhexan-3-yl)acetamide
SMILESCC(=O)CC(CC(F)(F)F)(NC(C)=O)C(C)C
InChIInChI=1S/C11H18F3NO2/c1-7(2)10(5-8(3)16,15-9(4)17)6-11(12,13)14/h7H,5-6H2,1-4H3,(H,15,17)
InChIKeyUFSMIOYUWOPSEH-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.45
Rot. Bonds5

About N-(1,1,1-trifluoro-5-oxo-3-propan-2-ylhexan-3-yl)acetamide

N-(1,1,1-trifluoro-5-oxo-3-propan-2-ylhexan-3-yl)acetamide (PubChem CID 23192791) has the molecular formula C11H18F3NO2 and a molecular weight of 253.26 g/mol. Its IUPAC name is N-(1,1,1-trifluoro-5-oxo-3-propan-2-ylhexan-3-yl)acetamide.

Molecular Properties

Compound NameN-(1,1,1-trifluoro-5-oxo-3-propan-2-ylhexan-3-yl)acetamide
PubChem CID23192791
Molecular FormulaC11H18F3NO2
Molecular Weight253.26 g/mol
Exact Mass253.13
IUPAC NameN-(1,1,1-trifluoro-5-oxo-3-propan-2-ylhexan-3-yl)acetamide
SMILESCC(=O)CC(CC(F)(F)F)(NC(C)=O)C(C)C
InChIInChI=1S/C11H18F3NO2/c1-7(2)10(5-8(3)16,15-9(4)17)6-11(12,13)14/h7H,5-6H2,1-4H3,(H,15,17)
InChIKeyUFSMIOYUWOPSEH-UHFFFAOYSA-N
XLogP2.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(1,1,1-trifluoro-5-oxo-3-propan-2-ylhexan-3-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-(1,1,1-trifluoro-5-oxo-3-propan-2-ylhexan-3-yl)acetamide?
The IUPAC name of N-(1,1,1-trifluoro-5-oxo-3-propan-2-ylhexan-3-yl)acetamide (CID 23192791) is N-(1,1,1-trifluoro-5-oxo-3-propan-2-ylhexan-3-yl)acetamide.
What is the SMILES notation for N-(1,1,1-trifluoro-5-oxo-3-propan-2-ylhexan-3-yl)acetamide?
The canonical SMILES for N-(1,1,1-trifluoro-5-oxo-3-propan-2-ylhexan-3-yl)acetamide is CC(=O)CC(CC(F)(F)F)(NC(C)=O)C(C)C.
What is the InChIKey of N-(1,1,1-trifluoro-5-oxo-3-propan-2-ylhexan-3-yl)acetamide?
The InChIKey is UFSMIOYUWOPSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO2/c1-7(2)10(5-8(3)16,15-9(4)17)6-11(12,13)14/h7H,5-6H2,1-4H3,(H,15,17).
What are the key properties of N-(1,1,1-trifluoro-5-oxo-3-propan-2-ylhexan-3-yl)acetamide?
N-(1,1,1-trifluoro-5-oxo-3-propan-2-ylhexan-3-yl)acetamide has a molecular weight of 253.26 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,1-trifluoro-5-oxo-3-propan-2-ylhexan-3-yl)acetamide is sourced from PubChem (CID 23192791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).