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

C9H17F3N2O2 — CID 79805161

IUPAC2-amino-N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCC(C)(N)C(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c1-3-8(2,13)7(16)14(4-5-15)6-9(10,11)12/h15H,3-6,13H2,1-2H3
InChIKeyVIWMDCNHSAHIHC-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.50
Rot. Bonds5

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

2-amino-N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 79805161) has the molecular formula C9H17F3N2O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 2-amino-N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name2-amino-N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID79805161
Molecular FormulaC9H17F3N2O2
Molecular Weight242.24 g/mol
Exact Mass242.12
IUPAC Name2-amino-N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCC(C)(N)C(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c1-3-8(2,13)7(16)14(4-5-15)6-9(10,11)12/h15H,3-6,13H2,1-2H3
InChIKeyVIWMDCNHSAHIHC-UHFFFAOYSA-N
XLogP0.50
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.50
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)-2-methyl-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of 2-amino-N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)butanamide (CID 79805161) is 2-amino-N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for 2-amino-N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for 2-amino-N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)butanamide is CCC(C)(N)C(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of 2-amino-N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is VIWMDCNHSAHIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2/c1-3-8(2,13)7(16)14(4-5-15)6-9(10,11)12/h15H,3-6,13H2,1-2H3.
What are the key properties of 2-amino-N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)butanamide?
2-amino-N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 242.24 g/mol, XLogP of 0.50, 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)-2-methyl-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 79805161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).