2-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyacetamide

C9H13F6NO2 — CID 118217382

IUPAC2-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyacetamide
SMILESCC(C)(C)C(OCC(N)=O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H13F6NO2/c1-6(2,3)7(8(10,11)12,9(13,14)15)18-4-5(16)17/h4H2,1-3H3,(H2,16,17)
InChIKeyNAMYKEUZAKJTSX-UHFFFAOYSA-N
MW281.20 g/mol
LogP2.40
Rot. Bonds3

About 2-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyacetamide

2-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyacetamide (PubChem CID 118217382) has the molecular formula C9H13F6NO2 and a molecular weight of 281.20 g/mol. Its IUPAC name is 2-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyacetamide.

Molecular Properties

Compound Name2-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyacetamide
PubChem CID118217382
Molecular FormulaC9H13F6NO2
Molecular Weight281.20 g/mol
Exact Mass281.09
IUPAC Name2-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyacetamide
SMILESCC(C)(C)C(OCC(N)=O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H13F6NO2/c1-6(2,3)7(8(10,11)12,9(13,14)15)18-4-5(16)17/h4H2,1-3H3,(H2,16,17)
InChIKeyNAMYKEUZAKJTSX-UHFFFAOYSA-N
XLogP2.40
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.20
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyacetamide 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 2-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyacetamide?
The IUPAC name of 2-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyacetamide (CID 118217382) is 2-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyacetamide.
What is the SMILES notation for 2-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyacetamide?
The canonical SMILES for 2-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyacetamide is CC(C)(C)C(OCC(N)=O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyacetamide?
The InChIKey is NAMYKEUZAKJTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F6NO2/c1-6(2,3)7(8(10,11)12,9(13,14)15)18-4-5(16)17/h4H2,1-3H3,(H2,16,17).
What are the key properties of 2-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyacetamide?
2-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyacetamide has a molecular weight of 281.20 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 2-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyacetamide is sourced from PubChem (CID 118217382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).