N-[3-[3-aminopropyl-(2,2,2-trifluoroacetyl)amino]propyl]-2,2,2-trifluoroacetamide

C10H15F6N3O2 — CID 59089375

IUPACN-[3-[3-aminopropyl-(2,2,2-trifluoroacetyl)amino]propyl]-2,2,2-trifluoroacetamide
SMILESNCCCN(CCCNC(=O)C(F)(F)F)C(=O)C(F)(F)F
InChIInChI=1S/C10H15F6N3O2/c11-9(12,13)7(20)18-4-2-6-19(5-1-3-17)8(21)10(14,15)16/h1-6,17H2,(H,18,20)
InChIKeyZKINSUYXSBPUTA-UHFFFAOYSA-N
MW323.24 g/mol
LogP0.79
Rot. Bonds7

About N-[3-[3-aminopropyl-(2,2,2-trifluoroacetyl)amino]propyl]-2,2,2-trifluoroacetamide

N-[3-[3-aminopropyl-(2,2,2-trifluoroacetyl)amino]propyl]-2,2,2-trifluoroacetamide (PubChem CID 59089375) has the molecular formula C10H15F6N3O2 and a molecular weight of 323.24 g/mol. Its IUPAC name is N-[3-[3-aminopropyl-(2,2,2-trifluoroacetyl)amino]propyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[3-[3-aminopropyl-(2,2,2-trifluoroacetyl)amino]propyl]-2,2,2-trifluoroacetamide
PubChem CID59089375
Molecular FormulaC10H15F6N3O2
Molecular Weight323.24 g/mol
Exact Mass323.11
IUPAC NameN-[3-[3-aminopropyl-(2,2,2-trifluoroacetyl)amino]propyl]-2,2,2-trifluoroacetamide
SMILESNCCCN(CCCNC(=O)C(F)(F)F)C(=O)C(F)(F)F
InChIInChI=1S/C10H15F6N3O2/c11-9(12,13)7(20)18-4-2-6-19(5-1-3-17)8(21)10(14,15)16/h1-6,17H2,(H,18,20)
InChIKeyZKINSUYXSBPUTA-UHFFFAOYSA-N
XLogP0.79
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.24
LogP ≤ 50.79
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 N-[3-[3-aminopropyl-(2,2,2-trifluoroacetyl)amino]propyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[3-[3-aminopropyl-(2,2,2-trifluoroacetyl)amino]propyl]-2,2,2-trifluoroacetamide (CID 59089375) is N-[3-[3-aminopropyl-(2,2,2-trifluoroacetyl)amino]propyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[3-[3-aminopropyl-(2,2,2-trifluoroacetyl)amino]propyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[3-[3-aminopropyl-(2,2,2-trifluoroacetyl)amino]propyl]-2,2,2-trifluoroacetamide is NCCCN(CCCNC(=O)C(F)(F)F)C(=O)C(F)(F)F.
What is the InChIKey of N-[3-[3-aminopropyl-(2,2,2-trifluoroacetyl)amino]propyl]-2,2,2-trifluoroacetamide?
The InChIKey is ZKINSUYXSBPUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F6N3O2/c11-9(12,13)7(20)18-4-2-6-19(5-1-3-17)8(21)10(14,15)16/h1-6,17H2,(H,18,20).
What are the key properties of N-[3-[3-aminopropyl-(2,2,2-trifluoroacetyl)amino]propyl]-2,2,2-trifluoroacetamide?
N-[3-[3-aminopropyl-(2,2,2-trifluoroacetyl)amino]propyl]-2,2,2-trifluoroacetamide has a molecular weight of 323.24 g/mol, XLogP of 0.79, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-aminopropyl-(2,2,2-trifluoroacetyl)amino]propyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 59089375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).