2-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide

C8H15F3N2O2 — CID 60953733

IUPAC2-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCC(N)C(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C8H15F3N2O2/c1-2-6(12)7(15)13(3-4-14)5-8(9,10)11/h6,14H,2-5,12H2,1H3
InChIKeyWVSKREWGQBNIOC-UHFFFAOYSA-N
MW228.21 g/mol
LogP0.11
Rot. Bonds5

About 2-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide

2-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 60953733) has the molecular formula C8H15F3N2O2 and a molecular weight of 228.21 g/mol. Its IUPAC name is 2-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name2-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID60953733
Molecular FormulaC8H15F3N2O2
Molecular Weight228.21 g/mol
Exact Mass228.11
IUPAC Name2-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCC(N)C(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C8H15F3N2O2/c1-2-6(12)7(15)13(3-4-14)5-8(9,10)11/h6,14H,2-5,12H2,1H3
InChIKeyWVSKREWGQBNIOC-UHFFFAOYSA-N
XLogP0.11
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of 2-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide (CID 60953733) is 2-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for 2-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for 2-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide is CCC(N)C(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of 2-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is WVSKREWGQBNIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O2/c1-2-6(12)7(15)13(3-4-14)5-8(9,10)11/h6,14H,2-5,12H2,1H3.
What are the key properties of 2-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide?
2-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 228.21 g/mol, XLogP of 0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 60953733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).