N-butyl-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide

C8H9F6NO2 — CID 87858972

IUPACN-butyl-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide
SMILESCCCCN(C(=O)C(F)(F)F)C(=O)C(F)(F)F
InChIInChI=1S/C8H9F6NO2/c1-2-3-4-15(5(16)7(9,10)11)6(17)8(12,13)14/h2-4H2,1H3
InChIKeyBOQKSLNDJNSRKZ-UHFFFAOYSA-N
MW265.15 g/mol
LogP2.27
Rot. Bonds3

About N-butyl-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide

N-butyl-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide (PubChem CID 87858972) has the molecular formula C8H9F6NO2 and a molecular weight of 265.15 g/mol. Its IUPAC name is N-butyl-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide.

Molecular Properties

Compound NameN-butyl-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide
PubChem CID87858972
Molecular FormulaC8H9F6NO2
Molecular Weight265.15 g/mol
Exact Mass265.05
IUPAC NameN-butyl-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide
SMILESCCCCN(C(=O)C(F)(F)F)C(=O)C(F)(F)F
InChIInChI=1S/C8H9F6NO2/c1-2-3-4-15(5(16)7(9,10)11)6(17)8(12,13)14/h2-4H2,1H3
InChIKeyBOQKSLNDJNSRKZ-UHFFFAOYSA-N
XLogP2.27
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.15
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-butyl-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)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-butyl-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide?
The IUPAC name of N-butyl-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide (CID 87858972) is N-butyl-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide.
What is the SMILES notation for N-butyl-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide?
The canonical SMILES for N-butyl-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide is CCCCN(C(=O)C(F)(F)F)C(=O)C(F)(F)F.
What is the InChIKey of N-butyl-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide?
The InChIKey is BOQKSLNDJNSRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F6NO2/c1-2-3-4-15(5(16)7(9,10)11)6(17)8(12,13)14/h2-4H2,1H3.
What are the key properties of N-butyl-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide?
N-butyl-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide has a molecular weight of 265.15 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide is sourced from PubChem (CID 87858972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).