2-amino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide

C8H15F3N2O2 — CID 63827591

IUPAC2-amino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide
SMILESCC(C)(N)C(=O)NCCOCC(F)(F)F
InChIInChI=1S/C8H15F3N2O2/c1-7(2,12)6(14)13-3-4-15-5-8(9,10)11/h3-5,12H2,1-2H3,(H,13,14)
InChIKeyNXQYRWOYPJUPNK-UHFFFAOYSA-N
MW228.21 g/mol
LogP0.42
Rot. Bonds5

About 2-amino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide

2-amino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide (PubChem CID 63827591) has the molecular formula C8H15F3N2O2 and a molecular weight of 228.21 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide.

Molecular Properties

Compound Name2-amino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide
PubChem CID63827591
Molecular FormulaC8H15F3N2O2
Molecular Weight228.21 g/mol
Exact Mass228.11
IUPAC Name2-amino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide
SMILESCC(C)(N)C(=O)NCCOCC(F)(F)F
InChIInChI=1S/C8H15F3N2O2/c1-7(2,12)6(14)13-3-4-15-5-8(9,10)11/h3-5,12H2,1-2H3,(H,13,14)
InChIKeyNXQYRWOYPJUPNK-UHFFFAOYSA-N
XLogP0.42
TPSA64.35 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 ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide?
The IUPAC name of 2-amino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide (CID 63827591) is 2-amino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide.
What is the SMILES notation for 2-amino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide?
The canonical SMILES for 2-amino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide is CC(C)(N)C(=O)NCCOCC(F)(F)F.
What is the InChIKey of 2-amino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide?
The InChIKey is NXQYRWOYPJUPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O2/c1-7(2,12)6(14)13-3-4-15-5-8(9,10)11/h3-5,12H2,1-2H3,(H,13,14).
What are the key properties of 2-amino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide?
2-amino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide has a molecular weight of 228.21 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide is sourced from PubChem (CID 63827591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).