lithium ethyl 2-di(propan-2-yloxy)phosphoryl-2-fluoroacetate

C10H19FLiO5P — CID 177418915

IUPAClithium ethyl 2-di(propan-2-yloxy)phosphoryl-2-fluoroacetate
SMILESCCOC(=O)[C-](F)P(=O)(OC(C)C)OC(C)C.[Li+]
InChIInChI=1S/C10H19FO5P.Li/c1-6-14-10(12)9(11)17(13,15-7(2)3)16-8(4)5;/h7-8H,6H2,1-5H3;/q-1;+1
InChIKeyAHYRXIZWYOKMAU-UHFFFAOYSA-N
MW276.17 g/mol
LogP0.06
Rot. Bonds7

About lithium ethyl 2-di(propan-2-yloxy)phosphoryl-2-fluoroacetate

lithium ethyl 2-di(propan-2-yloxy)phosphoryl-2-fluoroacetate (PubChem CID 177418915) has the molecular formula C10H19FLiO5P and a molecular weight of 276.17 g/mol. Its IUPAC name is lithium ethyl 2-di(propan-2-yloxy)phosphoryl-2-fluoroacetate.

Molecular Properties

Compound Namelithium ethyl 2-di(propan-2-yloxy)phosphoryl-2-fluoroacetate
PubChem CID177418915
Molecular FormulaC10H19FLiO5P
Molecular Weight276.17 g/mol
Exact Mass276.11
IUPAC Namelithium ethyl 2-di(propan-2-yloxy)phosphoryl-2-fluoroacetate
SMILESCCOC(=O)[C-](F)P(=O)(OC(C)C)OC(C)C.[Li+]
InChIInChI=1S/C10H19FO5P.Li/c1-6-14-10(12)9(11)17(13,15-7(2)3)16-8(4)5;/h7-8H,6H2,1-5H3;/q-1;+1
InChIKeyAHYRXIZWYOKMAU-UHFFFAOYSA-N
XLogP0.06
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.17
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2,2-difluoroacetate;tungsten(2+)
CID 21037782
ethyl 2-di(propan-2-yloxy)phosphoryl-2-fluoroacetate
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bromozinc(1+);ethyl 2,2-difluoroacetate
CID 11196450
ethyl 2-di(propan-2-yloxy)phosphoryloxy-3,3,3-trifluoropropanoate
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ethyl carbonofluoridate;bis(2-methylbutane)
CID 90813116
ethyl 2-[methylimino-di(propan-2-yloxy)-λ5-phosphanyl]acetate
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sodium ethyl 2-methylpropanoate
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ethyl (2E)-2-[di(propan-2-yloxy)phosphorylhydrazinylidene]acetate
CID 23264654
2-[ethoxy(propan-2-yloxy)phosphoryl]propan-2-ol
CID 12012614
ethyl N-ethyl-N-propan-2-ylcarbamate
CID 61216466
diethyl 2-fluoro-2-propan-2-ylpropanedioate
CID 88536481
ethyl 2-fluoro-2-propan-2-yloxyacetate
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Frequently Asked Questions

What is the IUPAC name of lithium ethyl 2-di(propan-2-yloxy)phosphoryl-2-fluoroacetate?
The IUPAC name of lithium ethyl 2-di(propan-2-yloxy)phosphoryl-2-fluoroacetate (CID 177418915) is lithium ethyl 2-di(propan-2-yloxy)phosphoryl-2-fluoroacetate.
What is the SMILES notation for lithium ethyl 2-di(propan-2-yloxy)phosphoryl-2-fluoroacetate?
The canonical SMILES for lithium ethyl 2-di(propan-2-yloxy)phosphoryl-2-fluoroacetate is CCOC(=O)[C-](F)P(=O)(OC(C)C)OC(C)C.[Li+].
What is the InChIKey of lithium ethyl 2-di(propan-2-yloxy)phosphoryl-2-fluoroacetate?
The InChIKey is AHYRXIZWYOKMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FO5P.Li/c1-6-14-10(12)9(11)17(13,15-7(2)3)16-8(4)5;/h7-8H,6H2,1-5H3;/q-1;+1.
What are the key properties of lithium ethyl 2-di(propan-2-yloxy)phosphoryl-2-fluoroacetate?
lithium ethyl 2-di(propan-2-yloxy)phosphoryl-2-fluoroacetate has a molecular weight of 276.17 g/mol, XLogP of 0.06, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium ethyl 2-di(propan-2-yloxy)phosphoryl-2-fluoroacetate is sourced from PubChem (CID 177418915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).