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

C10H14F6N2O3 — CID 59089269

IUPAC2,2,2-trifluoro-N-[3-[3-hydroxypropyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide
SMILESO=C(NCCCN(CCCO)C(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H14F6N2O3/c11-9(12,13)7(20)17-3-1-4-18(5-2-6-19)8(21)10(14,15)16/h19H,1-6H2,(H,17,20)
InChIKeyXKEMNXKSAYADHX-UHFFFAOYSA-N
MW324.22 g/mol
LogP0.83
Rot. Bonds7

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

2,2,2-trifluoro-N-[3-[3-hydroxypropyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide (PubChem CID 59089269) has the molecular formula C10H14F6N2O3 and a molecular weight of 324.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[3-[3-hydroxypropyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[3-[3-hydroxypropyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide
PubChem CID59089269
Molecular FormulaC10H14F6N2O3
Molecular Weight324.22 g/mol
Exact Mass324.09
IUPAC Name2,2,2-trifluoro-N-[3-[3-hydroxypropyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide
SMILESO=C(NCCCN(CCCO)C(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H14F6N2O3/c11-9(12,13)7(20)17-3-1-4-18(5-2-6-19)8(21)10(14,15)16/h19H,1-6H2,(H,17,20)
InChIKeyXKEMNXKSAYADHX-UHFFFAOYSA-N
XLogP0.83
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 50.83
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-[3-hydroxypropyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[3-[3-hydroxypropyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide (CID 59089269) is 2,2,2-trifluoro-N-[3-[3-hydroxypropyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[3-[3-hydroxypropyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[3-[3-hydroxypropyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide is O=C(NCCCN(CCCO)C(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[3-[3-hydroxypropyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide?
The InChIKey is XKEMNXKSAYADHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F6N2O3/c11-9(12,13)7(20)17-3-1-4-18(5-2-6-19)8(21)10(14,15)16/h19H,1-6H2,(H,17,20).
What are the key properties of 2,2,2-trifluoro-N-[3-[3-hydroxypropyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide?
2,2,2-trifluoro-N-[3-[3-hydroxypropyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide has a molecular weight of 324.22 g/mol, XLogP of 0.83, 7 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-[3-hydroxypropyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide is sourced from PubChem (CID 59089269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).