4,4,4-trifluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)butanamide

C11H20F3NO2 — CID 106353261

IUPAC4,4,4-trifluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)butanamide
SMILESCC(C)(C)C(CCO)NC(=O)CCC(F)(F)F
InChIInChI=1S/C11H20F3NO2/c1-10(2,3)8(5-7-16)15-9(17)4-6-11(12,13)14/h8,16H,4-7H2,1-3H3,(H,15,17)
InChIKeyYOJADROGOOMMPR-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.24
Rot. Bonds5

About 4,4,4-trifluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)butanamide

4,4,4-trifluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)butanamide (PubChem CID 106353261) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)butanamide
PubChem CID106353261
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC Name4,4,4-trifluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)butanamide
SMILESCC(C)(C)C(CCO)NC(=O)CCC(F)(F)F
InChIInChI=1S/C11H20F3NO2/c1-10(2,3)8(5-7-16)15-9(17)4-6-11(12,13)14/h8,16H,4-7H2,1-3H3,(H,15,17)
InChIKeyYOJADROGOOMMPR-UHFFFAOYSA-N
XLogP2.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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

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Related Compounds

2,2,2-trifluoro-N-(1-hydroxy-4-methylpentan-2-yl)acetamide
CID 61246688
(R)-2,2,2-trifluoro-N-(1-hydroxy-4-methylpentan-2-yl)acetamide
CID 86622344
2,2,2-trifluoro-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]acetamide
CID 87841020
N-[(2S)-3-ethyl-1-hydroxy-3-methylpentan-2-yl]-2,2,2-trifluoroacetamide
CID 156694095
2,2-dimethyl-N-(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl)butanamide
CID 158075293
2-methyl-N-[(2S)-4,4,4-trifluoro-1-hydroxybutan-2-yl]pentanamide
CID 161726386
3,3,3-trifluoro-2-(hydroxymethyl)-2-methyl-N-(2,2,4,4-tetramethylpentan-3-yl)propanamide
CID 167425102
2,2,2-trifluoro-N-[(2R)-4-hydroxy-3,3-dimethylbutan-2-yl]acetamide
CID 169193243
2,2-difluoro-N-(1-methoxy-2,2,4,4-tetramethylpentan-3-yl)propanamide
CID 170265593
N-(3,3-dimethylbutan-2-yl)-3,3,3-trifluoro-2-(hydroxymethyl)-2-methylpropanamide
CID 171733416
N-(3-ethyl-1-hydroxy-3-methylpentan-2-yl)-2,2,2-trifluoroacetamide
CID 175102187
3,3,3-trifluoro-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
CID 61247486

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)butanamide?
The IUPAC name of 4,4,4-trifluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)butanamide (CID 106353261) is 4,4,4-trifluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)butanamide is CC(C)(C)C(CCO)NC(=O)CCC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)butanamide?
The InChIKey is YOJADROGOOMMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c1-10(2,3)8(5-7-16)15-9(17)4-6-11(12,13)14/h8,16H,4-7H2,1-3H3,(H,15,17).
What are the key properties of 4,4,4-trifluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)butanamide?
4,4,4-trifluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)butanamide has a molecular weight of 255.28 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)butanamide is sourced from PubChem (CID 106353261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).