N-(2-hydroxyethyl)-3-oxo-N-(2,2,2-trifluoroethyl)butanamide

C8H12F3NO3 — CID 60952374

IUPACN-(2-hydroxyethyl)-3-oxo-N-(2,2,2-trifluoroethyl)butanamide
SMILESCC(=O)CC(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C8H12F3NO3/c1-6(14)4-7(15)12(2-3-13)5-8(9,10)11/h13H,2-5H2,1H3
InChIKeyGCVRXFFVSWIVPE-UHFFFAOYSA-N
MW227.18 g/mol
LogP0.35
Rot. Bonds5

About N-(2-hydroxyethyl)-3-oxo-N-(2,2,2-trifluoroethyl)butanamide

N-(2-hydroxyethyl)-3-oxo-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 60952374) has the molecular formula C8H12F3NO3 and a molecular weight of 227.18 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-oxo-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-oxo-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID60952374
Molecular FormulaC8H12F3NO3
Molecular Weight227.18 g/mol
Exact Mass227.08
IUPAC NameN-(2-hydroxyethyl)-3-oxo-N-(2,2,2-trifluoroethyl)butanamide
SMILESCC(=O)CC(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C8H12F3NO3/c1-6(14)4-7(15)12(2-3-13)5-8(9,10)11/h13H,2-5H2,1H3
InChIKeyGCVRXFFVSWIVPE-UHFFFAOYSA-N
XLogP0.35
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.18
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-oxo-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of N-(2-hydroxyethyl)-3-oxo-N-(2,2,2-trifluoroethyl)butanamide (CID 60952374) is N-(2-hydroxyethyl)-3-oxo-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-oxo-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-oxo-N-(2,2,2-trifluoroethyl)butanamide is CC(=O)CC(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of N-(2-hydroxyethyl)-3-oxo-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is GCVRXFFVSWIVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO3/c1-6(14)4-7(15)12(2-3-13)5-8(9,10)11/h13H,2-5H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-3-oxo-N-(2,2,2-trifluoroethyl)butanamide?
N-(2-hydroxyethyl)-3-oxo-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 227.18 g/mol, XLogP of 0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-oxo-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 60952374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).