ethyl 2-diethoxyphosphanyloxy-2,2-difluoroacetate

C8H15F2O5P — CID 100924702

IUPACethyl 2-diethoxyphosphanyloxy-2,2-difluoroacetate
SMILESCCOC(=O)C(F)(F)OP(OCC)OCC
InChIInChI=1S/C8H15F2O5P/c1-4-12-7(11)8(9,10)15-16(13-5-2)14-6-3/h4-6H2,1-3H3
InChIKeyFGSUYRPACBJLRP-UHFFFAOYSA-N
MW260.17 g/mol
LogP2.46
Rot. Bonds8

About ethyl 2-diethoxyphosphanyloxy-2,2-difluoroacetate

ethyl 2-diethoxyphosphanyloxy-2,2-difluoroacetate (PubChem CID 100924702) has the molecular formula C8H15F2O5P and a molecular weight of 260.17 g/mol. Its IUPAC name is ethyl 2-diethoxyphosphanyloxy-2,2-difluoroacetate.

Molecular Properties

Compound Nameethyl 2-diethoxyphosphanyloxy-2,2-difluoroacetate
PubChem CID100924702
Molecular FormulaC8H15F2O5P
Molecular Weight260.17 g/mol
Exact Mass260.06
IUPAC Nameethyl 2-diethoxyphosphanyloxy-2,2-difluoroacetate
SMILESCCOC(=O)C(F)(F)OP(OCC)OCC
InChIInChI=1S/C8H15F2O5P/c1-4-12-7(11)8(9,10)15-16(13-5-2)14-6-3/h4-6H2,1-3H3
InChIKeyFGSUYRPACBJLRP-UHFFFAOYSA-N
XLogP2.46
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.17
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(2-ethoxy-1,1-difluoro-2-oxoethoxy)-2,2-difluoroacetate
CID 13141611
diethyl 2-fluoro-2-propan-2-ylpropanedioate
CID 88536481
ethyl (2R)-3-amino-2-fluoro-2-methylpropanoate
CID 14273517
ethyl 2,2-difluoro-2-(2-methoxyethoxy)acetate
CID 66455007
ethyl 2-(ethoxymethoxy)-2,2-difluoroacetate
CID 88881294
diethyl 2,2,4,4-tetrafluoro-3-oxopentanedioate
CID 86616588
triethyl 2-fluoroethane-1,1,1-tricarboxylate
CID 24796347
ethyl (2R)-2-amino-2-fluoropropanoate
CID 57210654
ethyl (2S)-2-amino-4-methyl-2-(trifluoromethyl)pentanoate
CID 15858333
ethyl 2,2-difluoro-2-(1,1,2,2-tetrafluoroethoxy)acetate
CID 13141610
ethyl 3,3,3-trifluoro-2,2-dihydroxypropanoate
CID 154013298
ethyl (2S)-2-amino-3-methyl-2-(trifluoromethyl)butanoate
CID 10846253

Frequently Asked Questions

What is the IUPAC name of ethyl 2-diethoxyphosphanyloxy-2,2-difluoroacetate?
The IUPAC name of ethyl 2-diethoxyphosphanyloxy-2,2-difluoroacetate (CID 100924702) is ethyl 2-diethoxyphosphanyloxy-2,2-difluoroacetate.
What is the SMILES notation for ethyl 2-diethoxyphosphanyloxy-2,2-difluoroacetate?
The canonical SMILES for ethyl 2-diethoxyphosphanyloxy-2,2-difluoroacetate is CCOC(=O)C(F)(F)OP(OCC)OCC.
What is the InChIKey of ethyl 2-diethoxyphosphanyloxy-2,2-difluoroacetate?
The InChIKey is FGSUYRPACBJLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2O5P/c1-4-12-7(11)8(9,10)15-16(13-5-2)14-6-3/h4-6H2,1-3H3.
What are the key properties of ethyl 2-diethoxyphosphanyloxy-2,2-difluoroacetate?
ethyl 2-diethoxyphosphanyloxy-2,2-difluoroacetate has a molecular weight of 260.17 g/mol, XLogP of 2.46, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-diethoxyphosphanyloxy-2,2-difluoroacetate is sourced from PubChem (CID 100924702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).