4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentanamide

C9H16F3NO — CID 59169953

IUPAC4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCC(C)(C)CCC(=O)NCC(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-8(2,3)5-4-7(14)13-6-9(10,11)12/h4-6H2,1-3H3,(H,13,14)
InChIKeyMOLGTHXRWCYCPR-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.49
Rot. Bonds3

About 4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentanamide

4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentanamide (PubChem CID 59169953) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentanamide.

Molecular Properties

Compound Name4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentanamide
PubChem CID59169953
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCC(C)(C)CCC(=O)NCC(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-8(2,3)5-4-7(14)13-6-9(10,11)12/h4-6H2,1-3H3,(H,13,14)
InChIKeyMOLGTHXRWCYCPR-UHFFFAOYSA-N
XLogP2.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-Butyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
CID 4196056
N-(2-fluoroethyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 11424015
N-(4-Methylpentyl)-2,2,2-trifluoroacetamide
CID 62727488
N-(2,2,2-trifluoroethyl)pentanamide
CID 89487108
N-isopentyl-4-methylpentanamide
CID 20442825
N-(4,4-dimethyl-5-oxoheptyl)-2,2,2-trifluoroacetamide
CID 135010069
2,2,2-trifluoro-N-(4,6,6-trimethylheptyl)acetamide
CID 162406542
N-cyclohexyl-2,2-bis(trifluoromethyl)butanamide
CID 3320184
N-[[(1R)-2,2-difluorocyclopentyl]methyl]-2,2-dimethylpropanamide
CID 129348576
N-(2-Ethylhexyl)heptafluorobutyramide
CID 545238
N-Ethyl-2,2,4-trimethylvaleramide
CID 101047
2,2-dimethyl-N-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)butanamide
CID 20727668

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentanamide?
The IUPAC name of 4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentanamide (CID 59169953) is 4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentanamide.
What is the SMILES notation for 4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentanamide?
The canonical SMILES for 4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentanamide is CC(C)(C)CCC(=O)NCC(F)(F)F.
What is the InChIKey of 4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentanamide?
The InChIKey is MOLGTHXRWCYCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-8(2,3)5-4-7(14)13-6-9(10,11)12/h4-6H2,1-3H3,(H,13,14).
What are the key properties of 4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentanamide?
4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentanamide has a molecular weight of 211.23 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentanamide is sourced from PubChem (CID 59169953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).