ethoxy-[3-[(2,2,2-trifluoroacetyl)amino]propyl]phosphinic acid

C7H13F3NO4P — CID 59131645

IUPACethoxy-[3-[(2,2,2-trifluoroacetyl)amino]propyl]phosphinic acid
SMILESCCOP(=O)(O)CCCNC(=O)C(F)(F)F
InChIInChI=1S/C7H13F3NO4P/c1-2-15-16(13,14)5-3-4-11-6(12)7(8,9)10/h2-5H2,1H3,(H,11,12)(H,13,14)
InChIKeyXYTXTWQCDQIRNL-UHFFFAOYSA-N
MW263.15 g/mol
LogP1.28
Rot. Bonds6

About ethoxy-[3-[(2,2,2-trifluoroacetyl)amino]propyl]phosphinic acid

ethoxy-[3-[(2,2,2-trifluoroacetyl)amino]propyl]phosphinic acid (PubChem CID 59131645) has the molecular formula C7H13F3NO4P and a molecular weight of 263.15 g/mol. Its IUPAC name is ethoxy-[3-[(2,2,2-trifluoroacetyl)amino]propyl]phosphinic acid.

Molecular Properties

Compound Nameethoxy-[3-[(2,2,2-trifluoroacetyl)amino]propyl]phosphinic acid
PubChem CID59131645
Molecular FormulaC7H13F3NO4P
Molecular Weight263.15 g/mol
Exact Mass263.05
IUPAC Nameethoxy-[3-[(2,2,2-trifluoroacetyl)amino]propyl]phosphinic acid
SMILESCCOP(=O)(O)CCCNC(=O)C(F)(F)F
InChIInChI=1S/C7H13F3NO4P/c1-2-15-16(13,14)5-3-4-11-6(12)7(8,9)10/h2-5H2,1H3,(H,11,12)(H,13,14)
InChIKeyXYTXTWQCDQIRNL-UHFFFAOYSA-N
XLogP1.28
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.15
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

diethyl 5-[(2,2,2-trifluoroacetyl)amino]pentyl phosphate
CID 10711824
4-[(2,2,2-trifluoroacetyl)amino]butyl dihydrogen phosphate
CID 87493571
2,2,2-trifluoro-N-[2-[(triethoxy-lambda5-phosphanylidene)amino]ethyl]acetamide
CID 13173260
N-(4-ethoxybutyl)-2,2,2-trifluoroacetamide
CID 130756999
ethyl 4-[(2,2,2-trifluoroacetyl)amino]butanoate
CID 62734875
ethoxy-[3-(octylamino)propyl]phosphinic acid
CID 155661215
2,2,2-trifluoro-N-icosylacetamide
CID 91692791
N-dodecyl-2-(18F)fluoro-2,2-difluoroacetamide
CID 177484696
ethyl 2,2,2-trifluoroacetate;N'-methylpropane-1,3-diamine;2,2,2-trifluoro-N-[3-(methylamino)propyl]acetamide
CID 159986318
bis(triethylazanium);4-[(2,2,2-trifluoroacetyl)amino]butyl phosphate
CID 140602645
ethoxy-[5-(tetradecanoylamino)pentyl]phosphinic acid
CID 85470252
ethoxy-[4-(3-ethoxypropylamino)butyl]phosphinic acid
CID 155661193

Frequently Asked Questions

What is the IUPAC name of ethoxy-[3-[(2,2,2-trifluoroacetyl)amino]propyl]phosphinic acid?
The IUPAC name of ethoxy-[3-[(2,2,2-trifluoroacetyl)amino]propyl]phosphinic acid (CID 59131645) is ethoxy-[3-[(2,2,2-trifluoroacetyl)amino]propyl]phosphinic acid.
What is the SMILES notation for ethoxy-[3-[(2,2,2-trifluoroacetyl)amino]propyl]phosphinic acid?
The canonical SMILES for ethoxy-[3-[(2,2,2-trifluoroacetyl)amino]propyl]phosphinic acid is CCOP(=O)(O)CCCNC(=O)C(F)(F)F.
What is the InChIKey of ethoxy-[3-[(2,2,2-trifluoroacetyl)amino]propyl]phosphinic acid?
The InChIKey is XYTXTWQCDQIRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3NO4P/c1-2-15-16(13,14)5-3-4-11-6(12)7(8,9)10/h2-5H2,1H3,(H,11,12)(H,13,14).
What are the key properties of ethoxy-[3-[(2,2,2-trifluoroacetyl)amino]propyl]phosphinic acid?
ethoxy-[3-[(2,2,2-trifluoroacetyl)amino]propyl]phosphinic acid has a molecular weight of 263.15 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-[3-[(2,2,2-trifluoroacetyl)amino]propyl]phosphinic acid is sourced from PubChem (CID 59131645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).