2,2,2-trifluoro-N-(4-hydroxy-2,2-dimethylbutyl)acetamide

C8H14F3NO2 — CID 103825117

IUPAC2,2,2-trifluoro-N-(4-hydroxy-2,2-dimethylbutyl)acetamide
SMILESCC(C)(CCO)CNC(=O)C(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-7(2,3-4-13)5-12-6(14)8(9,10)11/h13H,3-5H2,1-2H3,(H,12,14)
InChIKeyXAMMDBGOHWAPPY-UHFFFAOYSA-N
MW213.20 g/mol
LogP1.07
Rot. Bonds4

About 2,2,2-trifluoro-N-(4-hydroxy-2,2-dimethylbutyl)acetamide

2,2,2-trifluoro-N-(4-hydroxy-2,2-dimethylbutyl)acetamide (PubChem CID 103825117) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(4-hydroxy-2,2-dimethylbutyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(4-hydroxy-2,2-dimethylbutyl)acetamide
PubChem CID103825117
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Name2,2,2-trifluoro-N-(4-hydroxy-2,2-dimethylbutyl)acetamide
SMILESCC(C)(CCO)CNC(=O)C(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-7(2,3-4-13)5-12-6(14)8(9,10)11/h13H,3-5H2,1-2H3,(H,12,14)
InChIKeyXAMMDBGOHWAPPY-UHFFFAOYSA-N
XLogP1.07
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

N-(4-Hydroxybutyl)trifluoroacetamide
CID 3586224
4-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)butanamide
CID 59168914
2,2,2-trifluoro-N-[4-hydroxy-3-(hydroxymethyl)butyl]acetamide
CID 121399046
2,2,2-trifluoro-N-(1-hydroxy-3,3-dimethylbutan-2-yl)acetamide
CID 131168453
N-[4,4,4-trifluoro-2-(hydroxymethyl)butyl]acetamide
CID 155154968
ethane;N-[4,4,4-trifluoro-2-(hydroxymethyl)butyl]acetamide
CID 155701905
2,2,2-trifluoro-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]acetamide
CID 156694169
2,2,2-trifluoro-N-[(2R)-4-hydroxy-3,3-dimethylbutan-2-yl]acetamide
CID 169193243
3,3,3-trifluoro-N-(4-hydroxy-2-methylbutyl)propanamide
CID 66106455
4,4,4-trifluoro-N-(4-hydroxy-2-methylbutyl)butanamide
CID 66107979
2,2,2-trifluoro-N-(4-hydroxy-2-methylbutyl)acetamide
CID 66109467
N-(2-ethyl-4-hydroxybutyl)-2,2,2-trifluoroacetamide
CID 80308620

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(4-hydroxy-2,2-dimethylbutyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(4-hydroxy-2,2-dimethylbutyl)acetamide (CID 103825117) is 2,2,2-trifluoro-N-(4-hydroxy-2,2-dimethylbutyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(4-hydroxy-2,2-dimethylbutyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(4-hydroxy-2,2-dimethylbutyl)acetamide is CC(C)(CCO)CNC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(4-hydroxy-2,2-dimethylbutyl)acetamide?
The InChIKey is XAMMDBGOHWAPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2/c1-7(2,3-4-13)5-12-6(14)8(9,10)11/h13H,3-5H2,1-2H3,(H,12,14).
What are the key properties of 2,2,2-trifluoro-N-(4-hydroxy-2,2-dimethylbutyl)acetamide?
2,2,2-trifluoro-N-(4-hydroxy-2,2-dimethylbutyl)acetamide has a molecular weight of 213.20 g/mol, XLogP of 1.07, 4 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-(4-hydroxy-2,2-dimethylbutyl)acetamide is sourced from PubChem (CID 103825117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).