N-[2-ethyl-2-(hydroxymethyl)butyl]-4,4,4-trifluorobutanamide

C11H20F3NO2 — CID 103843928

IUPACN-[2-ethyl-2-(hydroxymethyl)butyl]-4,4,4-trifluorobutanamide
SMILESCCC(CC)(CO)CNC(=O)CCC(F)(F)F
InChIInChI=1S/C11H20F3NO2/c1-3-10(4-2,8-16)7-15-9(17)5-6-11(12,13)14/h16H,3-8H2,1-2H3,(H,15,17)
InChIKeyRITFTZYCDKHNDY-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.24
Rot. Bonds7

About N-[2-ethyl-2-(hydroxymethyl)butyl]-4,4,4-trifluorobutanamide

N-[2-ethyl-2-(hydroxymethyl)butyl]-4,4,4-trifluorobutanamide (PubChem CID 103843928) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is N-[2-ethyl-2-(hydroxymethyl)butyl]-4,4,4-trifluorobutanamide.

Molecular Properties

Compound NameN-[2-ethyl-2-(hydroxymethyl)butyl]-4,4,4-trifluorobutanamide
PubChem CID103843928
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC NameN-[2-ethyl-2-(hydroxymethyl)butyl]-4,4,4-trifluorobutanamide
SMILESCCC(CC)(CO)CNC(=O)CCC(F)(F)F
InChIInChI=1S/C11H20F3NO2/c1-3-10(4-2,8-16)7-15-9(17)5-6-11(12,13)14/h16H,3-8H2,1-2H3,(H,15,17)
InChIKeyRITFTZYCDKHNDY-UHFFFAOYSA-N
XLogP2.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[2-ethyl-2-(hydroxymethyl)butyl]-4,4,4-trifluorobutanamide 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-[2-ethyl-2-(hydroxymethyl)butyl]octanamide
CID 113331570
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 113331571
5-bromo-N-[2-ethyl-2-(hydroxymethyl)butyl]pentanamide
CID 106253070
N-[2-ethyl-2-(hydroxymethyl)butyl]-2,2-difluoroacetamide
CID 107168157
4-amino-N-(2,2-diethyl-4-hydroxybutyl)pentanamide;hydrochloride
CID 120563952
N-(4-chloro-2,2-dimethylbutyl)-4,4,4-trifluorobutanamide
CID 106143278
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-propoxyacetamide
CID 103843568
4,4,4-trifluoro-N-(2-hydroxy-2,5-dimethylhexyl)butanamide
CID 111485192
2-ethyl-2-[(5,5,5-trifluoropentylamino)methyl]butan-1-ol
CID 115517280
2-(1-aminocyclohexyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]acetamide
CID 106255433
N-(2-ethylbutyl)-4,4,4-trifluorobutanamide
CID 115659906
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(3-methylazetidin-3-yl)oxyacetamide
CID 106255080

Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-2-(hydroxymethyl)butyl]-4,4,4-trifluorobutanamide?
The IUPAC name of N-[2-ethyl-2-(hydroxymethyl)butyl]-4,4,4-trifluorobutanamide (CID 103843928) is N-[2-ethyl-2-(hydroxymethyl)butyl]-4,4,4-trifluorobutanamide.
What is the SMILES notation for N-[2-ethyl-2-(hydroxymethyl)butyl]-4,4,4-trifluorobutanamide?
The canonical SMILES for N-[2-ethyl-2-(hydroxymethyl)butyl]-4,4,4-trifluorobutanamide is CCC(CC)(CO)CNC(=O)CCC(F)(F)F.
What is the InChIKey of N-[2-ethyl-2-(hydroxymethyl)butyl]-4,4,4-trifluorobutanamide?
The InChIKey is RITFTZYCDKHNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c1-3-10(4-2,8-16)7-15-9(17)5-6-11(12,13)14/h16H,3-8H2,1-2H3,(H,15,17).
What are the key properties of N-[2-ethyl-2-(hydroxymethyl)butyl]-4,4,4-trifluorobutanamide?
N-[2-ethyl-2-(hydroxymethyl)butyl]-4,4,4-trifluorobutanamide has a molecular weight of 255.28 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-2-(hydroxymethyl)butyl]-4,4,4-trifluorobutanamide is sourced from PubChem (CID 103843928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).