2,2,2-trifluoro-N-(3-hydroxy-3-methylbutyl)acetamide

C7H12F3NO2 — CID 130168451

IUPAC2,2,2-trifluoro-N-(3-hydroxy-3-methylbutyl)acetamide
SMILESCC(C)(O)CCNC(=O)C(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-6(2,13)3-4-11-5(12)7(8,9)10/h13H,3-4H2,1-2H3,(H,11,12)
InChIKeyQTMQOFFULWVCFU-UHFFFAOYSA-N
MW199.17 g/mol
LogP0.83
Rot. Bonds3

About 2,2,2-trifluoro-N-(3-hydroxy-3-methylbutyl)acetamide

2,2,2-trifluoro-N-(3-hydroxy-3-methylbutyl)acetamide (PubChem CID 130168451) has the molecular formula C7H12F3NO2 and a molecular weight of 199.17 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(3-hydroxy-3-methylbutyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(3-hydroxy-3-methylbutyl)acetamide
PubChem CID130168451
Molecular FormulaC7H12F3NO2
Molecular Weight199.17 g/mol
Exact Mass199.08
IUPAC Name2,2,2-trifluoro-N-(3-hydroxy-3-methylbutyl)acetamide
SMILESCC(C)(O)CCNC(=O)C(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-6(2,13)3-4-11-5(12)7(8,9)10/h13H,3-4H2,1-2H3,(H,11,12)
InChIKeyQTMQOFFULWVCFU-UHFFFAOYSA-N
XLogP0.83
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-hydroxy-3-methylbutyl)acetamide
CID 15253530
2,2,2-trifluoro-N-(3-hydroxybutyl)acetamide
CID 64459133
N-[3-hydroxy-3-methyl-2-(trifluoromethyl)butyl]acetamide
CID 88125183
N-(2-fluoro-3-hydroxy-3-methylbutyl)acetamide
CID 89697628
N-(2-fluoro-3-hydroxy-3-methylbutyl)-2-methylpropanamide
CID 117861077
2,2,2-trifluoro-N-(3-hydroxy-3-methylcyclobutyl)acetamide
CID 123236542
N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]acetamide
CID 131067302
2,2,2-trifluoro-N-(3-hydroxy-3-methylbutan-2-yl)acetamide
CID 131175842
N-(2-fluoro-3-hydroxy-3-methylbutyl)butanamide
CID 145610751
2,2,2-trifluoro-N-[2-(3-hydroxyazetidin-3-yl)ethyl]acetamide
CID 154652614
N-[4,4,4-trifluoro-2-(hydroxymethyl)butyl]acetamide
CID 155154968
N-[2-(3,3-difluoro-1-hydroxycyclobutyl)ethyl]acetamide
CID 155155043

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(3-hydroxy-3-methylbutyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(3-hydroxy-3-methylbutyl)acetamide (CID 130168451) is 2,2,2-trifluoro-N-(3-hydroxy-3-methylbutyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(3-hydroxy-3-methylbutyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(3-hydroxy-3-methylbutyl)acetamide is CC(C)(O)CCNC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(3-hydroxy-3-methylbutyl)acetamide?
The InChIKey is QTMQOFFULWVCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO2/c1-6(2,13)3-4-11-5(12)7(8,9)10/h13H,3-4H2,1-2H3,(H,11,12).
What are the key properties of 2,2,2-trifluoro-N-(3-hydroxy-3-methylbutyl)acetamide?
2,2,2-trifluoro-N-(3-hydroxy-3-methylbutyl)acetamide has a molecular weight of 199.17 g/mol, XLogP of 0.83, 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-(3-hydroxy-3-methylbutyl)acetamide is sourced from PubChem (CID 130168451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).