2-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]-N-(2-methoxyethyl)acetamide

C10H20F3N3O2 — CID 54989313

IUPAC2-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(C)C(CCN)C(F)(F)F
InChIInChI=1S/C10H20F3N3O2/c1-16(7-9(17)15-5-6-18-2)8(3-4-14)10(11,12)13/h8H,3-7,14H2,1-2H3,(H,15,17)
InChIKeyCCTBUOYLAKDEDG-UHFFFAOYSA-N
MW271.28 g/mol
LogP-0.04
Rot. Bonds8

About 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]-N-(2-methoxyethyl)acetamide

2-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]-N-(2-methoxyethyl)acetamide (PubChem CID 54989313) has the molecular formula C10H20F3N3O2 and a molecular weight of 271.28 g/mol. Its IUPAC name is 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]-N-(2-methoxyethyl)acetamide
PubChem CID54989313
Molecular FormulaC10H20F3N3O2
Molecular Weight271.28 g/mol
Exact Mass271.15
IUPAC Name2-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(C)C(CCN)C(F)(F)F
InChIInChI=1S/C10H20F3N3O2/c1-16(7-9(17)15-5-6-18-2)8(3-4-14)10(11,12)13/h8H,3-7,14H2,1-2H3,(H,15,17)
InChIKeyCCTBUOYLAKDEDG-UHFFFAOYSA-N
XLogP-0.04
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 5-0.04
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-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]-N-(2-methoxyethyl)acetamide (CID 54989313) is 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CN(C)C(CCN)C(F)(F)F.
What is the InChIKey of 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]-N-(2-methoxyethyl)acetamide?
The InChIKey is CCTBUOYLAKDEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N3O2/c1-16(7-9(17)15-5-6-18-2)8(3-4-14)10(11,12)13/h8H,3-7,14H2,1-2H3,(H,15,17).
What are the key properties of 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]-N-(2-methoxyethyl)acetamide?
2-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]-N-(2-methoxyethyl)acetamide has a molecular weight of 271.28 g/mol, XLogP of -0.04, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 54989313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).