N-[2-[2-(2-aminoethylamino)ethyl-(2,2,2-trifluoroacetyl)amino]ethyl]-2,2,2-trifluoroacetamide

C10H16F6N4O2 — CID 54080584

IUPACN-[2-[2-(2-aminoethylamino)ethyl-(2,2,2-trifluoroacetyl)amino]ethyl]-2,2,2-trifluoroacetamide
SMILESNCCNCCN(CCNC(=O)C(F)(F)F)C(=O)C(F)(F)F
InChIInChI=1S/C10H16F6N4O2/c11-9(12,13)7(21)19-4-6-20(5-3-18-2-1-17)8(22)10(14,15)16/h18H,1-6,17H2,(H,19,21)
InChIKeyMMUUVBQLUZCMPN-UHFFFAOYSA-N
MW338.25 g/mol
LogP-0.40
Rot. Bonds8

About N-[2-[2-(2-aminoethylamino)ethyl-(2,2,2-trifluoroacetyl)amino]ethyl]-2,2,2-trifluoroacetamide

N-[2-[2-(2-aminoethylamino)ethyl-(2,2,2-trifluoroacetyl)amino]ethyl]-2,2,2-trifluoroacetamide (PubChem CID 54080584) has the molecular formula C10H16F6N4O2 and a molecular weight of 338.25 g/mol. Its IUPAC name is N-[2-[2-(2-aminoethylamino)ethyl-(2,2,2-trifluoroacetyl)amino]ethyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-[2-(2-aminoethylamino)ethyl-(2,2,2-trifluoroacetyl)amino]ethyl]-2,2,2-trifluoroacetamide
PubChem CID54080584
Molecular FormulaC10H16F6N4O2
Molecular Weight338.25 g/mol
Exact Mass338.12
IUPAC NameN-[2-[2-(2-aminoethylamino)ethyl-(2,2,2-trifluoroacetyl)amino]ethyl]-2,2,2-trifluoroacetamide
SMILESNCCNCCN(CCNC(=O)C(F)(F)F)C(=O)C(F)(F)F
InChIInChI=1S/C10H16F6N4O2/c11-9(12,13)7(21)19-4-6-20(5-3-18-2-1-17)8(22)10(14,15)16/h18H,1-6,17H2,(H,19,21)
InChIKeyMMUUVBQLUZCMPN-UHFFFAOYSA-N
XLogP-0.40
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
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 N-[2-[2-(2-aminoethylamino)ethyl-(2,2,2-trifluoroacetyl)amino]ethyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-[2-(2-aminoethylamino)ethyl-(2,2,2-trifluoroacetyl)amino]ethyl]-2,2,2-trifluoroacetamide (CID 54080584) is N-[2-[2-(2-aminoethylamino)ethyl-(2,2,2-trifluoroacetyl)amino]ethyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-[2-(2-aminoethylamino)ethyl-(2,2,2-trifluoroacetyl)amino]ethyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-[2-(2-aminoethylamino)ethyl-(2,2,2-trifluoroacetyl)amino]ethyl]-2,2,2-trifluoroacetamide is NCCNCCN(CCNC(=O)C(F)(F)F)C(=O)C(F)(F)F.
What is the InChIKey of N-[2-[2-(2-aminoethylamino)ethyl-(2,2,2-trifluoroacetyl)amino]ethyl]-2,2,2-trifluoroacetamide?
The InChIKey is MMUUVBQLUZCMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F6N4O2/c11-9(12,13)7(21)19-4-6-20(5-3-18-2-1-17)8(22)10(14,15)16/h18H,1-6,17H2,(H,19,21).
What are the key properties of N-[2-[2-(2-aminoethylamino)ethyl-(2,2,2-trifluoroacetyl)amino]ethyl]-2,2,2-trifluoroacetamide?
N-[2-[2-(2-aminoethylamino)ethyl-(2,2,2-trifluoroacetyl)amino]ethyl]-2,2,2-trifluoroacetamide has a molecular weight of 338.25 g/mol, XLogP of -0.40, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-aminoethylamino)ethyl-(2,2,2-trifluoroacetyl)amino]ethyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 54080584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).