N-(2,2-diethyloxan-4-yl)-2,2,2-trifluoroacetamide

C11H18F3NO2 — CID 82786538

IUPACN-(2,2-diethyloxan-4-yl)-2,2,2-trifluoroacetamide
SMILESCCC1(CC)CC(NC(=O)C(F)(F)F)CCO1
InChIInChI=1S/C11H18F3NO2/c1-3-10(4-2)7-8(5-6-17-10)15-9(16)11(12,13)14/h8H,3-7H2,1-2H3,(H,15,16)
InChIKeyFWRUHGCNPIKADI-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.40
Rot. Bonds3

About N-(2,2-diethyloxan-4-yl)-2,2,2-trifluoroacetamide

N-(2,2-diethyloxan-4-yl)-2,2,2-trifluoroacetamide (PubChem CID 82786538) has the molecular formula C11H18F3NO2 and a molecular weight of 253.26 g/mol. Its IUPAC name is N-(2,2-diethyloxan-4-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(2,2-diethyloxan-4-yl)-2,2,2-trifluoroacetamide
PubChem CID82786538
Molecular FormulaC11H18F3NO2
Molecular Weight253.26 g/mol
Exact Mass253.13
IUPAC NameN-(2,2-diethyloxan-4-yl)-2,2,2-trifluoroacetamide
SMILESCCC1(CC)CC(NC(=O)C(F)(F)F)CCO1
InChIInChI=1S/C11H18F3NO2/c1-3-10(4-2)7-8(5-6-17-10)15-9(16)11(12,13)14/h8H,3-7H2,1-2H3,(H,15,16)
InChIKeyFWRUHGCNPIKADI-UHFFFAOYSA-N
XLogP2.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2,2-diethyloxan-4-yl)-2,2,2-trifluoroacetamide 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-(2,2-diethyloxan-4-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(2,2-diethyloxan-4-yl)-2,2,2-trifluoroacetamide (CID 82786538) is N-(2,2-diethyloxan-4-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(2,2-diethyloxan-4-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(2,2-diethyloxan-4-yl)-2,2,2-trifluoroacetamide is CCC1(CC)CC(NC(=O)C(F)(F)F)CCO1.
What is the InChIKey of N-(2,2-diethyloxan-4-yl)-2,2,2-trifluoroacetamide?
The InChIKey is FWRUHGCNPIKADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO2/c1-3-10(4-2)7-8(5-6-17-10)15-9(16)11(12,13)14/h8H,3-7H2,1-2H3,(H,15,16).
What are the key properties of N-(2,2-diethyloxan-4-yl)-2,2,2-trifluoroacetamide?
N-(2,2-diethyloxan-4-yl)-2,2,2-trifluoroacetamide has a molecular weight of 253.26 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethyloxan-4-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 82786538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).