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

C7H12F3NO2 — CID 66109467

IUPAC2,2,2-trifluoro-N-(4-hydroxy-2-methylbutyl)acetamide
SMILESCC(CCO)CNC(=O)C(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-5(2-3-12)4-11-6(13)7(8,9)10/h5,12H,2-4H2,1H3,(H,11,13)
InChIKeyCGAAIYCTJWJHDL-UHFFFAOYSA-N
MW199.17 g/mol
LogP0.68
Rot. Bonds4

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

2,2,2-trifluoro-N-(4-hydroxy-2-methylbutyl)acetamide (PubChem CID 66109467) has the molecular formula C7H12F3NO2 and a molecular weight of 199.17 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(4-hydroxy-2-methylbutyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(4-hydroxy-2-methylbutyl)acetamide
PubChem CID66109467
Molecular FormulaC7H12F3NO2
Molecular Weight199.17 g/mol
Exact Mass199.08
IUPAC Name2,2,2-trifluoro-N-(4-hydroxy-2-methylbutyl)acetamide
SMILESCC(CCO)CNC(=O)C(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-5(2-3-12)4-11-6(13)7(8,9)10/h5,12H,2-4H2,1H3,(H,11,13)
InChIKeyCGAAIYCTJWJHDL-UHFFFAOYSA-N
XLogP0.68
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-Hydroxybutyl)trifluoroacetamide
CID 3586224
Trifluoracetamidopropanol
CID 129757391
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
4-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)butanamide
CID 59168914
2,2,2-trifluoro-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65031818
2,2,2-trifluoro-N-(5-hydroxypentan-2-yl)acetamide
CID 80291520
(R)-4-(trifluoroacetylamino)-1-pentanol
CID 86661756
2,2,2-trifluoro-N-(5-hydroxy-2-methylpentyl)acetamide
CID 87580737
N-[5,5,5-trifluoro-4-(hydroxymethyl)pentyl]acetamide
CID 88125185
N-(2,2-difluoro-3-hydroxypropyl)acetamide
CID 104857135
N-(2,2-difluoro-3-hydroxypropyl)-3-methylbutanamide
CID 104858123

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(4-hydroxy-2-methylbutyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(4-hydroxy-2-methylbutyl)acetamide (CID 66109467) is 2,2,2-trifluoro-N-(4-hydroxy-2-methylbutyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(4-hydroxy-2-methylbutyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(4-hydroxy-2-methylbutyl)acetamide is CC(CCO)CNC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(4-hydroxy-2-methylbutyl)acetamide?
The InChIKey is CGAAIYCTJWJHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO2/c1-5(2-3-12)4-11-6(13)7(8,9)10/h5,12H,2-4H2,1H3,(H,11,13).
What are the key properties of 2,2,2-trifluoro-N-(4-hydroxy-2-methylbutyl)acetamide?
2,2,2-trifluoro-N-(4-hydroxy-2-methylbutyl)acetamide has a molecular weight of 199.17 g/mol, XLogP of 0.68, 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-methylbutyl)acetamide is sourced from PubChem (CID 66109467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).