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

C11H17F6N3O2 — CID 54519756

IUPAC2,2,2-trifluoro-N-[3-[methyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]propyl]acetamide
SMILESCN(CCCNC(=O)C(F)(F)F)CCCNC(=O)C(F)(F)F
InChIInChI=1S/C11H17F6N3O2/c1-20(6-2-4-18-8(21)10(12,13)14)7-3-5-19-9(22)11(15,16)17/h2-7H2,1H3,(H,18,21)(H,19,22)
InChIKeyYOYGJMCDMWUWJE-UHFFFAOYSA-N
MW337.26 g/mol
LogP1.06
Rot. Bonds8

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

2,2,2-trifluoro-N-[3-[methyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]propyl]acetamide (PubChem CID 54519756) has the molecular formula C11H17F6N3O2 and a molecular weight of 337.26 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[3-[methyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]propyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[3-[methyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]propyl]acetamide
PubChem CID54519756
Molecular FormulaC11H17F6N3O2
Molecular Weight337.26 g/mol
Exact Mass337.12
IUPAC Name2,2,2-trifluoro-N-[3-[methyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]propyl]acetamide
SMILESCN(CCCNC(=O)C(F)(F)F)CCCNC(=O)C(F)(F)F
InChIInChI=1S/C11H17F6N3O2/c1-20(6-2-4-18-8(21)10(12,13)14)7-3-5-19-9(22)11(15,16)17/h2-7H2,1H3,(H,18,21)(H,19,22)
InChIKeyYOYGJMCDMWUWJE-UHFFFAOYSA-N
XLogP1.06
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.26
LogP ≤ 51.06
H-Bond Donors ≤ 52
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-[methyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]propyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[3-[methyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]propyl]acetamide (CID 54519756) is 2,2,2-trifluoro-N-[3-[methyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]propyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[3-[methyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]propyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[3-[methyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]propyl]acetamide is CN(CCCNC(=O)C(F)(F)F)CCCNC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[3-[methyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]propyl]acetamide?
The InChIKey is YOYGJMCDMWUWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F6N3O2/c1-20(6-2-4-18-8(21)10(12,13)14)7-3-5-19-9(22)11(15,16)17/h2-7H2,1H3,(H,18,21)(H,19,22).
What are the key properties of 2,2,2-trifluoro-N-[3-[methyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]propyl]acetamide?
2,2,2-trifluoro-N-[3-[methyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]propyl]acetamide has a molecular weight of 337.26 g/mol, XLogP of 1.06, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[3-[methyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]propyl]acetamide is sourced from PubChem (CID 54519756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).