diethyl 5-[(2,2,2-trifluoroacetyl)amino]pentyl phosphate

C11H21F3NO5P — CID 10711824

IUPACdiethyl 5-[(2,2,2-trifluoroacetyl)amino]pentyl phosphate
SMILESCCOP(=O)(OCC)OCCCCCNC(=O)C(F)(F)F
InChIInChI=1S/C11H21F3NO5P/c1-3-18-21(17,19-4-2)20-9-7-5-6-8-15-10(16)11(12,13)14/h3-9H2,1-2H3,(H,15,16)
InChIKeyRDSRKQWMFNIRIS-UHFFFAOYSA-N
MW335.26 g/mol
LogP3.03
Rot. Bonds11

About diethyl 5-[(2,2,2-trifluoroacetyl)amino]pentyl phosphate

diethyl 5-[(2,2,2-trifluoroacetyl)amino]pentyl phosphate (PubChem CID 10711824) has the molecular formula C11H21F3NO5P and a molecular weight of 335.26 g/mol. Its IUPAC name is diethyl 5-[(2,2,2-trifluoroacetyl)amino]pentyl phosphate.

Molecular Properties

Compound Namediethyl 5-[(2,2,2-trifluoroacetyl)amino]pentyl phosphate
PubChem CID10711824
Molecular FormulaC11H21F3NO5P
Molecular Weight335.26 g/mol
Exact Mass335.11
IUPAC Namediethyl 5-[(2,2,2-trifluoroacetyl)amino]pentyl phosphate
SMILESCCOP(=O)(OCC)OCCCCCNC(=O)C(F)(F)F
InChIInChI=1S/C11H21F3NO5P/c1-3-18-21(17,19-4-2)20-9-7-5-6-8-15-10(16)11(12,13)14/h3-9H2,1-2H3,(H,15,16)
InChIKeyRDSRKQWMFNIRIS-UHFFFAOYSA-N
XLogP3.03
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.26
LogP ≤ 53.03
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

4-[(2,2,2-trifluoroacetyl)amino]butyl dihydrogen phosphate
CID 87493571
N-(4-ethoxybutyl)-2,2,2-trifluoroacetamide
CID 130756999
ethoxy-[3-[(2,2,2-trifluoroacetyl)amino]propyl]phosphinic acid
CID 59131645
bis(triethylazanium);4-[(2,2,2-trifluoroacetyl)amino]butyl phosphate
CID 140602645
5-diethoxyphosphoryloxypentyl diethyl phosphate
CID 23412798
diethyl 4-(prop-2-enoylamino)butyl phosphate
CID 151131859
2,2,2-trifluoro-N-icosylacetamide
CID 91692791
N-dodecyl-2-(18F)fluoro-2,2-difluoroacetamide
CID 177484696
2,2,2-trifluoro-N-[2-[(triethoxy-lambda5-phosphanylidene)amino]ethyl]acetamide
CID 13173260
oxo-bis[4-[(2,2,2-trifluoroacetyl)amino]butoxy]phosphanium
CID 11668829
azane;didodecyl ethyl phosphate
CID 170436215
tert-butyl 4-[(2,2,2-trifluoroacetyl)amino]butyl carbonate
CID 152610717

Frequently Asked Questions

What is the IUPAC name of diethyl 5-[(2,2,2-trifluoroacetyl)amino]pentyl phosphate?
The IUPAC name of diethyl 5-[(2,2,2-trifluoroacetyl)amino]pentyl phosphate (CID 10711824) is diethyl 5-[(2,2,2-trifluoroacetyl)amino]pentyl phosphate.
What is the SMILES notation for diethyl 5-[(2,2,2-trifluoroacetyl)amino]pentyl phosphate?
The canonical SMILES for diethyl 5-[(2,2,2-trifluoroacetyl)amino]pentyl phosphate is CCOP(=O)(OCC)OCCCCCNC(=O)C(F)(F)F.
What is the InChIKey of diethyl 5-[(2,2,2-trifluoroacetyl)amino]pentyl phosphate?
The InChIKey is RDSRKQWMFNIRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3NO5P/c1-3-18-21(17,19-4-2)20-9-7-5-6-8-15-10(16)11(12,13)14/h3-9H2,1-2H3,(H,15,16).
What are the key properties of diethyl 5-[(2,2,2-trifluoroacetyl)amino]pentyl phosphate?
diethyl 5-[(2,2,2-trifluoroacetyl)amino]pentyl phosphate has a molecular weight of 335.26 g/mol, XLogP of 3.03, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 5-[(2,2,2-trifluoroacetyl)amino]pentyl phosphate is sourced from PubChem (CID 10711824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).