4-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)butanamide

C7H12F3NO2 — CID 59168914

IUPAC4-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCC(CCO)C(=O)NCC(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-5(2-3-12)6(13)11-4-7(8,9)10/h5,12H,2-4H2,1H3,(H,11,13)
InChIKeyUWYDODKVEJSVHE-UHFFFAOYSA-N
MW199.17 g/mol
LogP0.68
Rot. Bonds4

About 4-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)butanamide

4-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 59168914) has the molecular formula C7H12F3NO2 and a molecular weight of 199.17 g/mol. Its IUPAC name is 4-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name4-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID59168914
Molecular FormulaC7H12F3NO2
Molecular Weight199.17 g/mol
Exact Mass199.08
IUPAC Name4-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCC(CCO)C(=O)NCC(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-5(2-3-12)6(13)11-4-7(8,9)10/h5,12H,2-4H2,1H3,(H,11,13)
InChIKeyUWYDODKVEJSVHE-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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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of 4-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)butanamide (CID 59168914) is 4-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for 4-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for 4-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)butanamide is CC(CCO)C(=O)NCC(F)(F)F.
What is the InChIKey of 4-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is UWYDODKVEJSVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO2/c1-5(2-3-12)6(13)11-4-7(8,9)10/h5,12H,2-4H2,1H3,(H,11,13).
What are the key properties of 4-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)butanamide?
4-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)butanamide 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 4-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 59168914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).