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

C12H15F9N4O3 — CID 3640837

IUPACN-[2-[bis[2-[(2,2,2-trifluoroacetyl)amino]ethyl]amino]ethyl]-2,2,2-trifluoroacetamide
SMILESO=C(NCCN(CCNC(=O)C(F)(F)F)CCNC(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H15F9N4O3/c13-10(14,15)7(26)22-1-4-25(5-2-23-8(27)11(16,17)18)6-3-24-9(28)12(19,20)21/h1-6H2,(H,22,26)(H,23,27)(H,24,28)
InChIKeyYFDXKLHAJTVRDJ-UHFFFAOYSA-N
MW434.26 g/mol
LogP0.32
Rot. Bonds9

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

N-[2-[bis[2-[(2,2,2-trifluoroacetyl)amino]ethyl]amino]ethyl]-2,2,2-trifluoroacetamide (PubChem CID 3640837) has the molecular formula C12H15F9N4O3 and a molecular weight of 434.26 g/mol. Its IUPAC name is N-[2-[bis[2-[(2,2,2-trifluoroacetyl)amino]ethyl]amino]ethyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-[bis[2-[(2,2,2-trifluoroacetyl)amino]ethyl]amino]ethyl]-2,2,2-trifluoroacetamide
PubChem CID3640837
Molecular FormulaC12H15F9N4O3
Molecular Weight434.26 g/mol
Exact Mass434.10
IUPAC NameN-[2-[bis[2-[(2,2,2-trifluoroacetyl)amino]ethyl]amino]ethyl]-2,2,2-trifluoroacetamide
SMILESO=C(NCCN(CCNC(=O)C(F)(F)F)CCNC(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H15F9N4O3/c13-10(14,15)7(26)22-1-4-25(5-2-23-8(27)11(16,17)18)6-3-24-9(28)12(19,20)21/h1-6H2,(H,22,26)(H,23,27)(H,24,28)
InChIKeyYFDXKLHAJTVRDJ-UHFFFAOYSA-N
XLogP0.32
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.26
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[bis[2-[(2,2,2-trifluoroacetyl)amino]ethyl]amino]ethyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-[bis[2-[(2,2,2-trifluoroacetyl)amino]ethyl]amino]ethyl]-2,2,2-trifluoroacetamide (CID 3640837) is N-[2-[bis[2-[(2,2,2-trifluoroacetyl)amino]ethyl]amino]ethyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-[bis[2-[(2,2,2-trifluoroacetyl)amino]ethyl]amino]ethyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-[bis[2-[(2,2,2-trifluoroacetyl)amino]ethyl]amino]ethyl]-2,2,2-trifluoroacetamide is O=C(NCCN(CCNC(=O)C(F)(F)F)CCNC(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-[2-[bis[2-[(2,2,2-trifluoroacetyl)amino]ethyl]amino]ethyl]-2,2,2-trifluoroacetamide?
The InChIKey is YFDXKLHAJTVRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F9N4O3/c13-10(14,15)7(26)22-1-4-25(5-2-23-8(27)11(16,17)18)6-3-24-9(28)12(19,20)21/h1-6H2,(H,22,26)(H,23,27)(H,24,28).
What are the key properties of N-[2-[bis[2-[(2,2,2-trifluoroacetyl)amino]ethyl]amino]ethyl]-2,2,2-trifluoroacetamide?
N-[2-[bis[2-[(2,2,2-trifluoroacetyl)amino]ethyl]amino]ethyl]-2,2,2-trifluoroacetamide has a molecular weight of 434.26 g/mol, XLogP of 0.32, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[bis[2-[(2,2,2-trifluoroacetyl)amino]ethyl]amino]ethyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 3640837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).