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

C10H20FO5P — CID 11207945

IUPACethyl 2-di(propan-2-yloxy)phosphoryl-2-fluoroacetate
SMILESCCOC(=O)C(F)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C10H20FO5P/c1-6-14-10(12)9(11)17(13,15-7(2)3)16-8(4)5/h7-9H,6H2,1-5H3
InChIKeyWGZAWXFFPNNUMF-UHFFFAOYSA-N
MW270.24 g/mol
LogP2.89
Rot. Bonds7

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

ethyl 2-di(propan-2-yloxy)phosphoryl-2-fluoroacetate (PubChem CID 11207945) has the molecular formula C10H20FO5P and a molecular weight of 270.24 g/mol. Its IUPAC name is ethyl 2-di(propan-2-yloxy)phosphoryl-2-fluoroacetate.

Molecular Properties

Compound Nameethyl 2-di(propan-2-yloxy)phosphoryl-2-fluoroacetate
PubChem CID11207945
Molecular FormulaC10H20FO5P
Molecular Weight270.24 g/mol
Exact Mass270.10
IUPAC Nameethyl 2-di(propan-2-yloxy)phosphoryl-2-fluoroacetate
SMILESCCOC(=O)C(F)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C10H20FO5P/c1-6-14-10(12)9(11)17(13,15-7(2)3)16-8(4)5/h7-9H,6H2,1-5H3
InChIKeyWGZAWXFFPNNUMF-UHFFFAOYSA-N
XLogP2.89
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 52.89
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-di(propan-2-yloxy)phosphoryloxy-3,3,3-trifluoropropanoate
CID 610019
ethyl 2-fluoro-2-propan-2-yloxyacetate
CID 79357119
diethyl 2-methylpropanedioate;zirconium
CID 174876844
diethyl 2,3-difluorobutanedioate
CID 12868425
lithium ethyl 2-di(propan-2-yloxy)phosphoryl-2-fluoroacetate
CID 177418915
diethoxy(methyl)phosphane;ethyl 2-bromo-2-fluoroacetate;ethyl 2-diethoxyphosphoryl-2-fluoroacetate
CID 157475406
ethyl (2R)-2-bromopropanoate
CID 7003709
ethyl (2R,3S)-2-fluoro-3-hydroxybutanoate
CID 97048138
ethyl (2S)-2,3-difluoropropanoate
CID 129363096
ethyl 2,3-dimethylpentanoate
CID 55255239
ethyl acetate;bis(propan-2-ol)
CID 87186921
ethyl 3-diethoxyphosphoryl-2-hydroxybutanoate
CID 23420452

Frequently Asked Questions

What is the IUPAC name of ethyl 2-di(propan-2-yloxy)phosphoryl-2-fluoroacetate?
The IUPAC name of ethyl 2-di(propan-2-yloxy)phosphoryl-2-fluoroacetate (CID 11207945) is ethyl 2-di(propan-2-yloxy)phosphoryl-2-fluoroacetate.
What is the SMILES notation for ethyl 2-di(propan-2-yloxy)phosphoryl-2-fluoroacetate?
The canonical SMILES for ethyl 2-di(propan-2-yloxy)phosphoryl-2-fluoroacetate is CCOC(=O)C(F)P(=O)(OC(C)C)OC(C)C.
What is the InChIKey of ethyl 2-di(propan-2-yloxy)phosphoryl-2-fluoroacetate?
The InChIKey is WGZAWXFFPNNUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FO5P/c1-6-14-10(12)9(11)17(13,15-7(2)3)16-8(4)5/h7-9H,6H2,1-5H3.
What are the key properties of ethyl 2-di(propan-2-yloxy)phosphoryl-2-fluoroacetate?
ethyl 2-di(propan-2-yloxy)phosphoryl-2-fluoroacetate has a molecular weight of 270.24 g/mol, XLogP of 2.89, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-di(propan-2-yloxy)phosphoryl-2-fluoroacetate is sourced from PubChem (CID 11207945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).