ethyl 2-diethoxyphosphoryl-5-fluoropentanoate

C11H22FO5P — CID 86678426

IUPACethyl 2-diethoxyphosphoryl-5-fluoropentanoate
SMILESCCOC(=O)C(CCCF)P(=O)(OCC)OCC
InChIInChI=1S/C11H22FO5P/c1-4-15-11(13)10(8-7-9-12)18(14,16-5-2)17-6-3/h10H,4-9H2,1-3H3
InChIKeyASINXCHHENUSKY-UHFFFAOYSA-N
MW284.26 g/mol
LogP2.93
Rot. Bonds10

About ethyl 2-diethoxyphosphoryl-5-fluoropentanoate

ethyl 2-diethoxyphosphoryl-5-fluoropentanoate (PubChem CID 86678426) has the molecular formula C11H22FO5P and a molecular weight of 284.26 g/mol. Its IUPAC name is ethyl 2-diethoxyphosphoryl-5-fluoropentanoate.

Molecular Properties

Compound Nameethyl 2-diethoxyphosphoryl-5-fluoropentanoate
PubChem CID86678426
Molecular FormulaC11H22FO5P
Molecular Weight284.26 g/mol
Exact Mass284.12
IUPAC Nameethyl 2-diethoxyphosphoryl-5-fluoropentanoate
SMILESCCOC(=O)C(CCCF)P(=O)(OCC)OCC
InChIInChI=1S/C11H22FO5P/c1-4-15-11(13)10(8-7-9-12)18(14,16-5-2)17-6-3/h10H,4-9H2,1-3H3
InChIKeyASINXCHHENUSKY-UHFFFAOYSA-N
XLogP2.93
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.26
LogP ≤ 52.93
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-diethoxyphosphoryltridecanoate
CID 56931385
ethyl (2S)-2-diethoxyphosphorylhexadecanoate
CID 98633198
ethyl (2R)-2-diethoxyphosphorylpentanoate
CID 6992997
ethyl 5-diethoxyphosphoryl-6-oxoheptanoate
CID 10852295
(1-ethoxy-1-oxohexan-2-yl)phosphonic acid
CID 57168391
3-diethoxyphosphoryl-2-methylhept-1-ene
CID 10658188
2,5-bis(diethoxyphosphoryl)hexanedioic acid
CID 54116909
ethyl 2-[bis(2,2,2-trifluoroethoxy)phosphoryl]butanoate
CID 10926473
ethyl (2S,3R)-3-diethoxyphosphoryl-2-hydroxyheptanoate
CID 23238044
ethyl (2S)-2-diethoxyphosphoryl-3-oxobutanoate
CID 98182463
1-O-ethyl 4-O-(4-methylheptan-4-yl) 2-diethoxyphosphorylbutanedioate
CID 164929031
ethyl 3-diethoxyphosphoryl-2-hydroxybutanoate
CID 23420452

Frequently Asked Questions

What is the IUPAC name of ethyl 2-diethoxyphosphoryl-5-fluoropentanoate?
The IUPAC name of ethyl 2-diethoxyphosphoryl-5-fluoropentanoate (CID 86678426) is ethyl 2-diethoxyphosphoryl-5-fluoropentanoate.
What is the SMILES notation for ethyl 2-diethoxyphosphoryl-5-fluoropentanoate?
The canonical SMILES for ethyl 2-diethoxyphosphoryl-5-fluoropentanoate is CCOC(=O)C(CCCF)P(=O)(OCC)OCC.
What is the InChIKey of ethyl 2-diethoxyphosphoryl-5-fluoropentanoate?
The InChIKey is ASINXCHHENUSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FO5P/c1-4-15-11(13)10(8-7-9-12)18(14,16-5-2)17-6-3/h10H,4-9H2,1-3H3.
What are the key properties of ethyl 2-diethoxyphosphoryl-5-fluoropentanoate?
ethyl 2-diethoxyphosphoryl-5-fluoropentanoate has a molecular weight of 284.26 g/mol, XLogP of 2.93, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-diethoxyphosphoryl-5-fluoropentanoate is sourced from PubChem (CID 86678426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).