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

C9H16F3N3O — CID 43752732

IUPAC2-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]-N-cyclopropylacetamide
SMILESCN(CC(=O)NC1CC1)C(CN)C(F)(F)F
InChIInChI=1S/C9H16F3N3O/c1-15(7(4-13)9(10,11)12)5-8(16)14-6-2-3-6/h6-7H,2-5,13H2,1H3,(H,14,16)
InChIKeyZCRWYXZUTQPYCP-UHFFFAOYSA-N
MW239.24 g/mol
LogP0.09
Rot. Bonds5

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

2-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]-N-cyclopropylacetamide (PubChem CID 43752732) has the molecular formula C9H16F3N3O and a molecular weight of 239.24 g/mol. Its IUPAC name is 2-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]-N-cyclopropylacetamide
PubChem CID43752732
Molecular FormulaC9H16F3N3O
Molecular Weight239.24 g/mol
Exact Mass239.12
IUPAC Name2-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]-N-cyclopropylacetamide
SMILESCN(CC(=O)NC1CC1)C(CN)C(F)(F)F
InChIInChI=1S/C9H16F3N3O/c1-15(7(4-13)9(10,11)12)5-8(16)14-6-2-3-6/h6-7H,2-5,13H2,1H3,(H,14,16)
InChIKeyZCRWYXZUTQPYCP-UHFFFAOYSA-N
XLogP0.09
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]-N-cyclopropylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]-N-cyclopropylacetamide?
The IUPAC name of 2-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]-N-cyclopropylacetamide (CID 43752732) is 2-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]-N-cyclopropylacetamide is CN(CC(=O)NC1CC1)C(CN)C(F)(F)F.
What is the InChIKey of 2-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]-N-cyclopropylacetamide?
The InChIKey is ZCRWYXZUTQPYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N3O/c1-15(7(4-13)9(10,11)12)5-8(16)14-6-2-3-6/h6-7H,2-5,13H2,1H3,(H,14,16).
What are the key properties of 2-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]-N-cyclopropylacetamide?
2-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]-N-cyclopropylacetamide has a molecular weight of 239.24 g/mol, XLogP of 0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]-N-cyclopropylacetamide is sourced from PubChem (CID 43752732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).