N-(2,2-difluoro-3,3-dimethylbutyl)acetamide

C8H15F2NO — CID 58044587

IUPACN-(2,2-difluoro-3,3-dimethylbutyl)acetamide
SMILESCC(=O)NCC(F)(F)C(C)(C)C
InChIInChI=1S/C8H15F2NO/c1-6(12)11-5-8(9,10)7(2,3)4/h5H2,1-4H3,(H,11,12)
InChIKeyGFMNYNVUSACHIY-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.80
Rot. Bonds2

About N-(2,2-difluoro-3,3-dimethylbutyl)acetamide

N-(2,2-difluoro-3,3-dimethylbutyl)acetamide (PubChem CID 58044587) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is N-(2,2-difluoro-3,3-dimethylbutyl)acetamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3,3-dimethylbutyl)acetamide
PubChem CID58044587
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC NameN-(2,2-difluoro-3,3-dimethylbutyl)acetamide
SMILESCC(=O)NCC(F)(F)C(C)(C)C
InChIInChI=1S/C8H15F2NO/c1-6(12)11-5-8(9,10)7(2,3)4/h5H2,1-4H3,(H,11,12)
InChIKeyGFMNYNVUSACHIY-UHFFFAOYSA-N
XLogP1.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(2,2-difluoro-3,3-dimethylbutyl)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-(2,2-difluoro-3,3-dimethylbutyl)acetamide?
The IUPAC name of N-(2,2-difluoro-3,3-dimethylbutyl)acetamide (CID 58044587) is N-(2,2-difluoro-3,3-dimethylbutyl)acetamide.
What is the SMILES notation for N-(2,2-difluoro-3,3-dimethylbutyl)acetamide?
The canonical SMILES for N-(2,2-difluoro-3,3-dimethylbutyl)acetamide is CC(=O)NCC(F)(F)C(C)(C)C.
What is the InChIKey of N-(2,2-difluoro-3,3-dimethylbutyl)acetamide?
The InChIKey is GFMNYNVUSACHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-6(12)11-5-8(9,10)7(2,3)4/h5H2,1-4H3,(H,11,12).
What are the key properties of N-(2,2-difluoro-3,3-dimethylbutyl)acetamide?
N-(2,2-difluoro-3,3-dimethylbutyl)acetamide has a molecular weight of 179.21 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3,3-dimethylbutyl)acetamide is sourced from PubChem (CID 58044587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).