2,2,2-trifluoro-N-[(2R)-4-hydroxy-3,3-dimethylbutan-2-yl]acetamide

C8H14F3NO2 — CID 169193243

IUPAC2,2,2-trifluoro-N-[(2R)-4-hydroxy-3,3-dimethylbutan-2-yl]acetamide
SMILESC[C@@H](NC(=O)C(F)(F)F)C(C)(C)CO
InChIInChI=1S/C8H14F3NO2/c1-5(7(2,3)4-13)12-6(14)8(9,10)11/h5,13H,4H2,1-3H3,(H,12,14)/t5-/m1/s1
InChIKeyZKUJVPDXEAMLHC-RXMQYKEDSA-N
MW213.20 g/mol
LogP1.07
Rot. Bonds3

About 2,2,2-trifluoro-N-[(2R)-4-hydroxy-3,3-dimethylbutan-2-yl]acetamide

2,2,2-trifluoro-N-[(2R)-4-hydroxy-3,3-dimethylbutan-2-yl]acetamide (PubChem CID 169193243) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(2R)-4-hydroxy-3,3-dimethylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(2R)-4-hydroxy-3,3-dimethylbutan-2-yl]acetamide
PubChem CID169193243
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Name2,2,2-trifluoro-N-[(2R)-4-hydroxy-3,3-dimethylbutan-2-yl]acetamide
SMILESC[C@@H](NC(=O)C(F)(F)F)C(C)(C)CO
InChIInChI=1S/C8H14F3NO2/c1-5(7(2,3)4-13)12-6(14)8(9,10)11/h5,13H,4H2,1-3H3,(H,12,14)/t5-/m1/s1
InChIKeyZKUJVPDXEAMLHC-RXMQYKEDSA-N
XLogP1.07
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-N-(1-hydroxybutan-2-yl)acetamide
CID 3397679
N-[(2S,3R)-4,4,4-trifluoro-1-hydroxy-3-methylbutan-2-yl]acetamide
CID 58879224
N-[(2S,3S)-4,4,4-trifluoro-1-hydroxy-3-methylbutan-2-yl]acetamide
CID 58879225
N-(1,1,1-trifluoro-4-hydroxybutan-2-yl)acetamide
CID 121358022
2,2,2-trifluoro-N-(1-hydroxy-3,3-dimethylbutan-2-yl)acetamide
CID 131168453
2-methyl-N-(1,1,1-trifluoro-4-hydroxybutan-2-yl)propanamide
CID 132250257
N-[4,4,4-trifluoro-2-(hydroxymethyl)butyl]acetamide
CID 155154968
ethane;N-[4,4,4-trifluoro-2-(hydroxymethyl)butyl]acetamide
CID 155701905
N-[(2S)-3-ethyl-1-hydroxy-3-methylpentan-2-yl]-2,2,2-trifluoroacetamide
CID 156694095
2,2,2-trifluoro-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]acetamide
CID 156694169
3,3,3-trifluoro-2-(hydroxymethyl)-2-methyl-N-(2,2,4,4-tetramethylpentan-3-yl)propanamide
CID 167425102
2,2-dimethyl-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)propanamide
CID 169874940

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(2R)-4-hydroxy-3,3-dimethylbutan-2-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(2R)-4-hydroxy-3,3-dimethylbutan-2-yl]acetamide (CID 169193243) is 2,2,2-trifluoro-N-[(2R)-4-hydroxy-3,3-dimethylbutan-2-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(2R)-4-hydroxy-3,3-dimethylbutan-2-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(2R)-4-hydroxy-3,3-dimethylbutan-2-yl]acetamide is C[C@@H](NC(=O)C(F)(F)F)C(C)(C)CO.
What is the InChIKey of 2,2,2-trifluoro-N-[(2R)-4-hydroxy-3,3-dimethylbutan-2-yl]acetamide?
The InChIKey is ZKUJVPDXEAMLHC-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H14F3NO2/c1-5(7(2,3)4-13)12-6(14)8(9,10)11/h5,13H,4H2,1-3H3,(H,12,14)/t5-/m1/s1.
What are the key properties of 2,2,2-trifluoro-N-[(2R)-4-hydroxy-3,3-dimethylbutan-2-yl]acetamide?
2,2,2-trifluoro-N-[(2R)-4-hydroxy-3,3-dimethylbutan-2-yl]acetamide has a molecular weight of 213.20 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(2R)-4-hydroxy-3,3-dimethylbutan-2-yl]acetamide is sourced from PubChem (CID 169193243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).