lithium 2,2-difluoroethoxycarbonyl(ethoxy)phosphinate

C5H8F2LiO5P — CID 130449080

IUPAClithium 2,2-difluoroethoxycarbonyl(ethoxy)phosphinate
SMILESCCOP(=O)([O-])C(=O)OCC(F)F.[Li+]
InChIInChI=1S/C5H9F2O5P.Li/c1-2-12-13(9,10)5(8)11-3-4(6)7;/h4H,2-3H2,1H3,(H,9,10);/q;+1/p-1
InChIKeyBYHPJEZVXAHXJC-UHFFFAOYSA-M
MW224.02 g/mol
LogP-2.02
Rot. Bonds5

About lithium 2,2-difluoroethoxycarbonyl(ethoxy)phosphinate

lithium 2,2-difluoroethoxycarbonyl(ethoxy)phosphinate (PubChem CID 130449080) has the molecular formula C5H8F2LiO5P and a molecular weight of 224.02 g/mol. Its IUPAC name is lithium 2,2-difluoroethoxycarbonyl(ethoxy)phosphinate.

Molecular Properties

Compound Namelithium 2,2-difluoroethoxycarbonyl(ethoxy)phosphinate
PubChem CID130449080
Molecular FormulaC5H8F2LiO5P
Molecular Weight224.02 g/mol
Exact Mass224.02
IUPAC Namelithium 2,2-difluoroethoxycarbonyl(ethoxy)phosphinate
SMILESCCOP(=O)([O-])C(=O)OCC(F)F.[Li+]
InChIInChI=1S/C5H9F2O5P.Li/c1-2-12-13(9,10)5(8)11-3-4(6)7;/h4H,2-3H2,1H3,(H,9,10);/q;+1/p-1
InChIKeyBYHPJEZVXAHXJC-UHFFFAOYSA-M
XLogP-2.02
TPSA75.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.02
LogP ≤ 5-2.02
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

Nsc 634137
CID 184894
Difluoro(diethoxyphosphinyl)acetic acid ethyl ester
CID 10879818
Methyl 2-[methoxy(2,2,2-trifluoroethoxy)phosphoryl]acetate
CID 365974
Methyl 2-diethoxyphosphoryl-2,2-difluoroacetate
CID 13464943
Methyl 2-[ethoxy(2,2,2-trifluoroethoxy)phosphoryl]acetate
CID 21575965
(2-Methoxy-2-oxoethyl)-(2,2,2-trifluoroethoxy)phosphinic acid
CID 54284712
Ethoxy-(2-ethoxy-1,1-difluoro-2-oxoethyl)phosphinic acid
CID 57078250
(1-Dimethoxyphosphoryl-2,2,2-trifluoroethyl) acetate
CID 85755438
(1-Dimethoxyphosphoryl-2,2,2-trifluoroethyl) methyl carbonate
CID 85755441
Butyl bis(2,2,2-trifluoroethoxy)phosphorylformate
CID 87358741
Methyl bis(2,2,2-trifluoroethoxy)phosphorylformate
CID 87358880
Ethyl bis(2,2,2-trifluoroethoxy)phosphorylformate
CID 87359199

Frequently Asked Questions

What is the IUPAC name of lithium 2,2-difluoroethoxycarbonyl(ethoxy)phosphinate?
The IUPAC name of lithium 2,2-difluoroethoxycarbonyl(ethoxy)phosphinate (CID 130449080) is lithium 2,2-difluoroethoxycarbonyl(ethoxy)phosphinate.
What is the SMILES notation for lithium 2,2-difluoroethoxycarbonyl(ethoxy)phosphinate?
The canonical SMILES for lithium 2,2-difluoroethoxycarbonyl(ethoxy)phosphinate is CCOP(=O)([O-])C(=O)OCC(F)F.[Li+].
What is the InChIKey of lithium 2,2-difluoroethoxycarbonyl(ethoxy)phosphinate?
The InChIKey is BYHPJEZVXAHXJC-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H9F2O5P.Li/c1-2-12-13(9,10)5(8)11-3-4(6)7;/h4H,2-3H2,1H3,(H,9,10);/q;+1/p-1.
What are the key properties of lithium 2,2-difluoroethoxycarbonyl(ethoxy)phosphinate?
lithium 2,2-difluoroethoxycarbonyl(ethoxy)phosphinate has a molecular weight of 224.02 g/mol, XLogP of -2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2,2-difluoroethoxycarbonyl(ethoxy)phosphinate is sourced from PubChem (CID 130449080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).