2-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]-N-(2-methoxyethyl)acetamide

C9H18F3N3O2 — CID 54989201

IUPAC2-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(C)C(CN)C(F)(F)F
InChIInChI=1S/C9H18F3N3O2/c1-15(7(5-13)9(10,11)12)6-8(16)14-3-4-17-2/h7H,3-6,13H2,1-2H3,(H,14,16)
InChIKeyOUUPQTXQWQEWMO-UHFFFAOYSA-N
MW257.26 g/mol
LogP-0.43
Rot. Bonds7

About 2-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]-N-(2-methoxyethyl)acetamide

2-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]-N-(2-methoxyethyl)acetamide (PubChem CID 54989201) has the molecular formula C9H18F3N3O2 and a molecular weight of 257.26 g/mol. Its IUPAC name is 2-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]-N-(2-methoxyethyl)acetamide
PubChem CID54989201
Molecular FormulaC9H18F3N3O2
Molecular Weight257.26 g/mol
Exact Mass257.14
IUPAC Name2-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(C)C(CN)C(F)(F)F
InChIInChI=1S/C9H18F3N3O2/c1-15(7(5-13)9(10,11)12)6-8(16)14-3-4-17-2/h7H,3-6,13H2,1-2H3,(H,14,16)
InChIKeyOUUPQTXQWQEWMO-UHFFFAOYSA-N
XLogP-0.43
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]-N-(2-methoxyethyl)acetamide (CID 54989201) is 2-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CN(C)C(CN)C(F)(F)F.
What is the InChIKey of 2-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]-N-(2-methoxyethyl)acetamide?
The InChIKey is OUUPQTXQWQEWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3N3O2/c1-15(7(5-13)9(10,11)12)6-8(16)14-3-4-17-2/h7H,3-6,13H2,1-2H3,(H,14,16).
What are the key properties of 2-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]-N-(2-methoxyethyl)acetamide?
2-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]-N-(2-methoxyethyl)acetamide has a molecular weight of 257.26 g/mol, XLogP of -0.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 54989201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).