2,2,2-trifluoro-N-[2-[(triethoxy-lambda5-phosphanylidene)amino]ethyl]acetamide

C10H20F3N2O4P — CID 13173260

IUPAC2,2,2-trifluoro-N-[2-[(triethoxy-lambda5-phosphanylidene)amino]ethyl]acetamide
SMILESCCOP(=NCCNC(=O)C(F)(F)F)(OCC)OCC
InChIInChI=1S/C10H20F3N2O4P/c1-4-17-20(18-5-2,19-6-3)15-8-7-14-9(16)10(11,12)13/h4-8H2,1-3H3,(H,14,16)
InChIKeyXGRHPMVUTGVCCG-UHFFFAOYSA-N
MW320.25 g/mol
LogP2.72
Rot. Bonds9

About 2,2,2-trifluoro-N-[2-[(triethoxy-lambda5-phosphanylidene)amino]ethyl]acetamide

2,2,2-trifluoro-N-[2-[(triethoxy-lambda5-phosphanylidene)amino]ethyl]acetamide (PubChem CID 13173260) has the molecular formula C10H20F3N2O4P and a molecular weight of 320.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-[(triethoxy-lambda5-phosphanylidene)amino]ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-[(triethoxy-lambda5-phosphanylidene)amino]ethyl]acetamide
PubChem CID13173260
Molecular FormulaC10H20F3N2O4P
Molecular Weight320.25 g/mol
Exact Mass320.11
IUPAC Name2,2,2-trifluoro-N-[2-[(triethoxy-lambda5-phosphanylidene)amino]ethyl]acetamide
SMILESCCOP(=NCCNC(=O)C(F)(F)F)(OCC)OCC
InChIInChI=1S/C10H20F3N2O4P/c1-4-17-20(18-5-2,19-6-3)15-8-7-14-9(16)10(11,12)13/h4-8H2,1-3H3,(H,14,16)
InChIKeyXGRHPMVUTGVCCG-UHFFFAOYSA-N
XLogP2.72
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.25
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

ethoxy-[3-[(2,2,2-trifluoroacetyl)amino]propyl]phosphinic acid
CID 59131645
diethyl 5-[(2,2,2-trifluoroacetyl)amino]pentyl phosphate
CID 10711824
N-(4-ethoxybutyl)-2,2,2-trifluoroacetamide
CID 130756999
N-ethyl-2,2,2-trifluoroacetamide
CID 581108
ethyl 4-[(2,2,2-trifluoroacetyl)amino]butanoate
CID 62734875
2,2-dimethyl-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]propanamide
CID 108537712
N-dodecyl-2-(18F)fluoro-2,2-difluoroacetamide
CID 177484696
2,2,2-trifluoro-N-icosylacetamide
CID 91692791
N-(4-ethoxy-3-hydroxy-3-methylbutyl)-2,2,2-trifluoroacetamide
CID 58593343
N,N-dimethyl-3-[(2,2,2-trifluoroacetyl)amino]propanamide
CID 62647345
N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]ethyl]-2,2,2-trifluoroacetamide
CID 108537687
2-[(2,2,2-trifluoroacetyl)amino]ethylazanium
CID 36688932

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-[(triethoxy-lambda5-phosphanylidene)amino]ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-[(triethoxy-lambda5-phosphanylidene)amino]ethyl]acetamide (CID 13173260) is 2,2,2-trifluoro-N-[2-[(triethoxy-lambda5-phosphanylidene)amino]ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-[(triethoxy-lambda5-phosphanylidene)amino]ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-[(triethoxy-lambda5-phosphanylidene)amino]ethyl]acetamide is CCOP(=NCCNC(=O)C(F)(F)F)(OCC)OCC.
What is the InChIKey of 2,2,2-trifluoro-N-[2-[(triethoxy-lambda5-phosphanylidene)amino]ethyl]acetamide?
The InChIKey is XGRHPMVUTGVCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N2O4P/c1-4-17-20(18-5-2,19-6-3)15-8-7-14-9(16)10(11,12)13/h4-8H2,1-3H3,(H,14,16).
What are the key properties of 2,2,2-trifluoro-N-[2-[(triethoxy-lambda5-phosphanylidene)amino]ethyl]acetamide?
2,2,2-trifluoro-N-[2-[(triethoxy-lambda5-phosphanylidene)amino]ethyl]acetamide has a molecular weight of 320.25 g/mol, XLogP of 2.72, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-[(triethoxy-lambda5-phosphanylidene)amino]ethyl]acetamide is sourced from PubChem (CID 13173260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).