2,2,2-trifluoro-N-[5-[(5,5,5-trifluoro-4-oxopentyl)amino]pentyl]acetamide

C12H18F6N2O2 — CID 123568887

IUPAC2,2,2-trifluoro-N-[5-[(5,5,5-trifluoro-4-oxopentyl)amino]pentyl]acetamide
SMILESO=C(CCCNCCCCCNC(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H18F6N2O2/c13-11(14,15)9(21)5-4-7-19-6-2-1-3-8-20-10(22)12(16,17)18/h19H,1-8H2,(H,20,22)
InChIKeyFUEMNGJPOUHWJE-UHFFFAOYSA-N
MW336.28 g/mol
LogP2.34
Rot. Bonds10

About 2,2,2-trifluoro-N-[5-[(5,5,5-trifluoro-4-oxopentyl)amino]pentyl]acetamide

2,2,2-trifluoro-N-[5-[(5,5,5-trifluoro-4-oxopentyl)amino]pentyl]acetamide (PubChem CID 123568887) has the molecular formula C12H18F6N2O2 and a molecular weight of 336.28 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[5-[(5,5,5-trifluoro-4-oxopentyl)amino]pentyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[5-[(5,5,5-trifluoro-4-oxopentyl)amino]pentyl]acetamide
PubChem CID123568887
Molecular FormulaC12H18F6N2O2
Molecular Weight336.28 g/mol
Exact Mass336.13
IUPAC Name2,2,2-trifluoro-N-[5-[(5,5,5-trifluoro-4-oxopentyl)amino]pentyl]acetamide
SMILESO=C(CCCNCCCCCNC(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H18F6N2O2/c13-11(14,15)9(21)5-4-7-19-6-2-1-3-8-20-10(22)12(16,17)18/h19H,1-8H2,(H,20,22)
InChIKeyFUEMNGJPOUHWJE-UHFFFAOYSA-N
XLogP2.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.28
LogP ≤ 52.34
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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Related Compounds

2,2,2-trifluoro-N-[3-[(15,15,15-trifluoro-14-oxopentadecyl)amino]propyl]acetamide
CID 58152578
2,2,2-trifluoro-N-icosylacetamide
CID 91692791
N-dodecyl-2-(18F)fluoro-2,2-difluoroacetamide
CID 177484696
2,2,2-trifluoro-N-[9-[7-(octylamino)heptyl]-16-[(2,2,2-trifluoroacetyl)amino]hexadecyl]acetamide
CID 139942216
2,2,2-trifluoro-N-[7-[4-[(2,2,2-trifluoroacetyl)amino]butyl]-11-(undecylamino)undecyl]acetamide
CID 139942199
2,2,2-trifluoro-N-(3-formamidopropyl)acetamide
CID 110461270
methyl 4-[(2,2,2-trifluoroacetyl)amino]butanoate
CID 62734856
2,2,2-trifluoro-N-(7-methyloctyl)acetamide
CID 62491646
N-(5-cyanopentyl)-2,2,2-trifluoroacetamide
CID 130012441
2,2,2-trifluoro-N-[3-[3-[(2,2,2-trifluoroacetyl)-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]propylamino]propyl]acetamide
CID 146412399
N-(4-ethoxybutyl)-2,2,2-trifluoroacetamide
CID 130756999
2,2,2-trifluoro-N-[3-(methoxyamino)propyl]acetamide
CID 130627633

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[5-[(5,5,5-trifluoro-4-oxopentyl)amino]pentyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[5-[(5,5,5-trifluoro-4-oxopentyl)amino]pentyl]acetamide (CID 123568887) is 2,2,2-trifluoro-N-[5-[(5,5,5-trifluoro-4-oxopentyl)amino]pentyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[5-[(5,5,5-trifluoro-4-oxopentyl)amino]pentyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[5-[(5,5,5-trifluoro-4-oxopentyl)amino]pentyl]acetamide is O=C(CCCNCCCCCNC(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[5-[(5,5,5-trifluoro-4-oxopentyl)amino]pentyl]acetamide?
The InChIKey is FUEMNGJPOUHWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F6N2O2/c13-11(14,15)9(21)5-4-7-19-6-2-1-3-8-20-10(22)12(16,17)18/h19H,1-8H2,(H,20,22).
What are the key properties of 2,2,2-trifluoro-N-[5-[(5,5,5-trifluoro-4-oxopentyl)amino]pentyl]acetamide?
2,2,2-trifluoro-N-[5-[(5,5,5-trifluoro-4-oxopentyl)amino]pentyl]acetamide has a molecular weight of 336.28 g/mol, XLogP of 2.34, 10 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-[5-[(5,5,5-trifluoro-4-oxopentyl)amino]pentyl]acetamide is sourced from PubChem (CID 123568887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).