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

C10H15F6N3O2 — CID 11676468

IUPAC2,2,2-trifluoro-N-[3-[3-[(2,2,2-trifluoroacetyl)amino]propylamino]propyl]acetamide
SMILESO=C(NCCCNCCCNC(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H15F6N3O2/c11-9(12,13)7(20)18-5-1-3-17-4-2-6-19-8(21)10(14,15)16/h17H,1-6H2,(H,18,20)(H,19,21)
InChIKeyTXLZFICTDIYKRL-UHFFFAOYSA-N
MW323.24 g/mol
LogP0.71
Rot. Bonds8

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

2,2,2-trifluoro-N-[3-[3-[(2,2,2-trifluoroacetyl)amino]propylamino]propyl]acetamide (PubChem CID 11676468) has the molecular formula C10H15F6N3O2 and a molecular weight of 323.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[3-[3-[(2,2,2-trifluoroacetyl)amino]propylamino]propyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[3-[3-[(2,2,2-trifluoroacetyl)amino]propylamino]propyl]acetamide
PubChem CID11676468
Molecular FormulaC10H15F6N3O2
Molecular Weight323.24 g/mol
Exact Mass323.11
IUPAC Name2,2,2-trifluoro-N-[3-[3-[(2,2,2-trifluoroacetyl)amino]propylamino]propyl]acetamide
SMILESO=C(NCCCNCCCNC(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H15F6N3O2/c11-9(12,13)7(20)18-5-1-3-17-4-2-6-19-8(21)10(14,15)16/h17H,1-6H2,(H,18,20)(H,19,21)
InChIKeyTXLZFICTDIYKRL-UHFFFAOYSA-N
XLogP0.71
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.24
LogP ≤ 50.71
H-Bond Donors ≤ 53
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 2,2,2-trifluoro-N-[3-[3-[(2,2,2-trifluoroacetyl)amino]propylamino]propyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[3-[3-[(2,2,2-trifluoroacetyl)amino]propylamino]propyl]acetamide (CID 11676468) is 2,2,2-trifluoro-N-[3-[3-[(2,2,2-trifluoroacetyl)amino]propylamino]propyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[3-[3-[(2,2,2-trifluoroacetyl)amino]propylamino]propyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[3-[3-[(2,2,2-trifluoroacetyl)amino]propylamino]propyl]acetamide is O=C(NCCCNCCCNC(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[3-[3-[(2,2,2-trifluoroacetyl)amino]propylamino]propyl]acetamide?
The InChIKey is TXLZFICTDIYKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F6N3O2/c11-9(12,13)7(20)18-5-1-3-17-4-2-6-19-8(21)10(14,15)16/h17H,1-6H2,(H,18,20)(H,19,21).
What are the key properties of 2,2,2-trifluoro-N-[3-[3-[(2,2,2-trifluoroacetyl)amino]propylamino]propyl]acetamide?
2,2,2-trifluoro-N-[3-[3-[(2,2,2-trifluoroacetyl)amino]propylamino]propyl]acetamide has a molecular weight of 323.24 g/mol, XLogP of 0.71, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[3-[3-[(2,2,2-trifluoroacetyl)amino]propylamino]propyl]acetamide is sourced from PubChem (CID 11676468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).