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

C18H12F18N4O6 — CID 23295533

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

N-[2-[bis(2,2,2-trifluoroacetyl)amino]ethyl]-N-[2-[2-[bis(2,2,2-trifluoroacetyl)amino]ethyl-(2,2,2-trifluoroacetyl)amino]ethyl]-2,2,2-trifluoroacetamide (PubChem CID 23295533) has the molecular formula C18H12F18N4O6 and a molecular weight of 722.28 g/mol. Its IUPAC name is N-[2-[bis(2,2,2-trifluoroacetyl)amino]ethyl]-N-[2-[2-[bis(2,2,2-trifluoroacetyl)amino]ethyl-(2,2,2-trifluoroacetyl)amino]ethyl]-2,2,2-trifluoroacetamide.

Molecular Properties

• Compound Name: N-[2-[bis(2,2,2-trifluoroacetyl)amino]ethyl]-N-[2-[2-[bis(2,2,2-trifluoroacetyl)amino]ethyl-(2,2,2-trifluoroacetyl)amino]ethyl]-2,2,2-trifluoroacetamide
• PubChem CID: 23295533
• Molecular Formula: C18H12F18N4O6
• Molecular Weight: 722.28 g/mol
• Exact Mass: 722.05
• IUPAC Name: N-[2-[bis(2,2,2-trifluoroacetyl)amino]ethyl]-N-[2-[2-[bis(2,2,2-trifluoroacetyl)amino]ethyl-(2,2,2-trifluoroacetyl)amino]ethyl]-2,2,2-trifluoroacetamide
• SMILES: O=C(N(CCN(CCN(C(=O)C(F)(F)F)C(=O)C(F)(F)F)C(=O)C(F)(F)F)CCN(C(=O)C(F)(F)F)C(=O)C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C18H12F18N4O6/c19-13(20,21)7(41)37(3-5-39(9(43)15(25,26)27)10(44)16(28,29)30)1-2-38(8(42)14(22,23)24)4-6-40(11(45)17(31,32)33)12(46)18(34,35)36/h1-6H2
• InChIKey: PQCLMGCWRYBNFX-UHFFFAOYSA-N
• XLogP: 2.73
• TPSA: 115.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	722.28
LogP ≤ 5	2.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-[bis(2,2,2-trifluoroacetyl)amino]ethyl]-N-[2-[2-[bis(2,2,2-trifluoroacetyl)amino]ethyl-(2,2,2-trifluoroacetyl)amino]ethyl]-2,2,2-trifluoroacetamide?

The IUPAC name of N-[2-[bis(2,2,2-trifluoroacetyl)amino]ethyl]-N-[2-[2-[bis(2,2,2-trifluoroacetyl)amino]ethyl-(2,2,2-trifluoroacetyl)amino]ethyl]-2,2,2-trifluoroacetamide (CID 23295533) is N-[2-[bis(2,2,2-trifluoroacetyl)amino]ethyl]-N-[2-[2-[bis(2,2,2-trifluoroacetyl)amino]ethyl-(2,2,2-trifluoroacetyl)amino]ethyl]-2,2,2-trifluoroacetamide.

What is the SMILES notation for N-[2-[bis(2,2,2-trifluoroacetyl)amino]ethyl]-N-[2-[2-[bis(2,2,2-trifluoroacetyl)amino]ethyl-(2,2,2-trifluoroacetyl)amino]ethyl]-2,2,2-trifluoroacetamide?

The canonical SMILES for N-[2-[bis(2,2,2-trifluoroacetyl)amino]ethyl]-N-[2-[2-[bis(2,2,2-trifluoroacetyl)amino]ethyl-(2,2,2-trifluoroacetyl)amino]ethyl]-2,2,2-trifluoroacetamide is O=C(N(CCN(CCN(C(=O)C(F)(F)F)C(=O)C(F)(F)F)C(=O)C(F)(F)F)CCN(C(=O)C(F)(F)F)C(=O)C(F)(F)F)C(F)(F)F.

What is the InChIKey of N-[2-[bis(2,2,2-trifluoroacetyl)amino]ethyl]-N-[2-[2-[bis(2,2,2-trifluoroacetyl)amino]ethyl-(2,2,2-trifluoroacetyl)amino]ethyl]-2,2,2-trifluoroacetamide?

The InChIKey is PQCLMGCWRYBNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F18N4O6/c19-13(20,21)7(41)37(3-5-39(9(43)15(25,26)27)10(44)16(28,29)30)1-2-38(8(42)14(22,23)24)4-6-40(11(45)17(31,32)33)12(46)18(34,35)36/h1-6H2.

What are the key properties of N-[2-[bis(2,2,2-trifluoroacetyl)amino]ethyl]-N-[2-[2-[bis(2,2,2-trifluoroacetyl)amino]ethyl-(2,2,2-trifluoroacetyl)amino]ethyl]-2,2,2-trifluoroacetamide?

N-[2-[bis(2,2,2-trifluoroacetyl)amino]ethyl]-N-[2-[2-[bis(2,2,2-trifluoroacetyl)amino]ethyl-(2,2,2-trifluoroacetyl)amino]ethyl]-2,2,2-trifluoroacetamide has a molecular weight of 722.28 g/mol, XLogP of 2.73, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[bis(2,2,2-trifluoroacetyl)amino]ethyl]-N-[2-[2-[bis(2,2,2-trifluoroacetyl)amino]ethyl-(2,2,2-trifluoroacetyl)amino]ethyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 23295533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).