2,2,2-trifluoro-N-[2-[3-[2-[(2,2,2-trifluoroacetyl)amino]ethylamino]propylamino]ethyl]acetamide

C11H18F6N4O2 — CID 46899573

IUPAC2,2,2-trifluoro-N-[2-[3-[2-[(2,2,2-trifluoroacetyl)amino]ethylamino]propylamino]ethyl]acetamide
SMILESO=C(NCCNCCCNCCNC(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H18F6N4O2/c12-10(13,14)8(22)20-6-4-18-2-1-3-19-5-7-21-9(23)11(15,16)17/h18-19H,1-7H2,(H,20,22)(H,21,23)
InChIKeyOOCHSWKGVKRYIA-UHFFFAOYSA-N
MW352.28 g/mol
LogP-0.09
Rot. Bonds10

About 2,2,2-trifluoro-N-[2-[3-[2-[(2,2,2-trifluoroacetyl)amino]ethylamino]propylamino]ethyl]acetamide

2,2,2-trifluoro-N-[2-[3-[2-[(2,2,2-trifluoroacetyl)amino]ethylamino]propylamino]ethyl]acetamide (PubChem CID 46899573) has the molecular formula C11H18F6N4O2 and a molecular weight of 352.28 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-[3-[2-[(2,2,2-trifluoroacetyl)amino]ethylamino]propylamino]ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-[3-[2-[(2,2,2-trifluoroacetyl)amino]ethylamino]propylamino]ethyl]acetamide
PubChem CID46899573
Molecular FormulaC11H18F6N4O2
Molecular Weight352.28 g/mol
Exact Mass352.13
IUPAC Name2,2,2-trifluoro-N-[2-[3-[2-[(2,2,2-trifluoroacetyl)amino]ethylamino]propylamino]ethyl]acetamide
SMILESO=C(NCCNCCCNCCNC(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H18F6N4O2/c12-10(13,14)8(22)20-6-4-18-2-1-3-19-5-7-21-9(23)11(15,16)17/h18-19H,1-7H2,(H,20,22)(H,21,23)
InChIKeyOOCHSWKGVKRYIA-UHFFFAOYSA-N
XLogP-0.09
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 5-0.09
H-Bond Donors ≤ 54
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 2,2,2-trifluoro-N-[2-[3-[2-[(2,2,2-trifluoroacetyl)amino]ethylamino]propylamino]ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-[3-[2-[(2,2,2-trifluoroacetyl)amino]ethylamino]propylamino]ethyl]acetamide (CID 46899573) is 2,2,2-trifluoro-N-[2-[3-[2-[(2,2,2-trifluoroacetyl)amino]ethylamino]propylamino]ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-[3-[2-[(2,2,2-trifluoroacetyl)amino]ethylamino]propylamino]ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-[3-[2-[(2,2,2-trifluoroacetyl)amino]ethylamino]propylamino]ethyl]acetamide is O=C(NCCNCCCNCCNC(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-[3-[2-[(2,2,2-trifluoroacetyl)amino]ethylamino]propylamino]ethyl]acetamide?
The InChIKey is OOCHSWKGVKRYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F6N4O2/c12-10(13,14)8(22)20-6-4-18-2-1-3-19-5-7-21-9(23)11(15,16)17/h18-19H,1-7H2,(H,20,22)(H,21,23).
What are the key properties of 2,2,2-trifluoro-N-[2-[3-[2-[(2,2,2-trifluoroacetyl)amino]ethylamino]propylamino]ethyl]acetamide?
2,2,2-trifluoro-N-[2-[3-[2-[(2,2,2-trifluoroacetyl)amino]ethylamino]propylamino]ethyl]acetamide has a molecular weight of 352.28 g/mol, XLogP of -0.09, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-[3-[2-[(2,2,2-trifluoroacetyl)amino]ethylamino]propylamino]ethyl]acetamide is sourced from PubChem (CID 46899573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).