N-(2,4-dimethylpentan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide

C11H20F3NO — CID 59598870

IUPACN-(2,4-dimethylpentan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(=O)N(CC(F)(F)F)C(C(C)C)C(C)C
InChIInChI=1S/C11H20F3NO/c1-7(2)10(8(3)4)15(9(5)16)6-11(12,13)14/h7-8,10H,6H2,1-5H3
InChIKeyUMTUQUIHOPNVNG-UHFFFAOYSA-N
MW239.28 g/mol
LogP3.08
Rot. Bonds4

About N-(2,4-dimethylpentan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide

N-(2,4-dimethylpentan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 59598870) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is N-(2,4-dimethylpentan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylpentan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID59598870
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC NameN-(2,4-dimethylpentan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(=O)N(CC(F)(F)F)C(C(C)C)C(C)C
InChIInChI=1S/C11H20F3NO/c1-7(2)10(8(3)4)15(9(5)16)6-11(12,13)14/h7-8,10H,6H2,1-5H3
InChIKeyUMTUQUIHOPNVNG-UHFFFAOYSA-N
XLogP3.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-(2,4-dimethylpentan-3-yl)-N-(2,2,2-trifluoroethyl)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-(2,4-dimethylpentan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-(2,4-dimethylpentan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 59598870) is N-(2,4-dimethylpentan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-(2,4-dimethylpentan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-(2,4-dimethylpentan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide is CC(=O)N(CC(F)(F)F)C(C(C)C)C(C)C.
What is the InChIKey of N-(2,4-dimethylpentan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is UMTUQUIHOPNVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-7(2)10(8(3)4)15(9(5)16)6-11(12,13)14/h7-8,10H,6H2,1-5H3.
What are the key properties of N-(2,4-dimethylpentan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide?
N-(2,4-dimethylpentan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 239.28 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylpentan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 59598870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).