ethyl 4-diethoxyphosphoryl-4,4-difluorobutanoate

C10H19F2O5P — CID 10446794

IUPACethyl 4-diethoxyphosphoryl-4,4-difluorobutanoate
SMILESCCOC(=O)CCC(F)(F)P(=O)(OCC)OCC
InChIInChI=1S/C10H19F2O5P/c1-4-15-9(13)7-8-10(11,12)18(14,16-5-2)17-6-3/h4-8H2,1-3H3
InChIKeyNSOCZCZGRJNLNT-UHFFFAOYSA-N
MW288.23 g/mol
LogP3.19
Rot. Bonds9

About ethyl 4-diethoxyphosphoryl-4,4-difluorobutanoate

ethyl 4-diethoxyphosphoryl-4,4-difluorobutanoate (PubChem CID 10446794) has the molecular formula C10H19F2O5P and a molecular weight of 288.23 g/mol. Its IUPAC name is ethyl 4-diethoxyphosphoryl-4,4-difluorobutanoate.

Molecular Properties

Compound Nameethyl 4-diethoxyphosphoryl-4,4-difluorobutanoate
PubChem CID10446794
Molecular FormulaC10H19F2O5P
Molecular Weight288.23 g/mol
Exact Mass288.09
IUPAC Nameethyl 4-diethoxyphosphoryl-4,4-difluorobutanoate
SMILESCCOC(=O)CCC(F)(F)P(=O)(OCC)OCC
InChIInChI=1S/C10H19F2O5P/c1-4-15-9(13)7-8-10(11,12)18(14,16-5-2)17-6-3/h4-8H2,1-3H3
InChIKeyNSOCZCZGRJNLNT-UHFFFAOYSA-N
XLogP3.19
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.23
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-diethoxyphosphoryl-4,4-difluorobutanoate?
The IUPAC name of ethyl 4-diethoxyphosphoryl-4,4-difluorobutanoate (CID 10446794) is ethyl 4-diethoxyphosphoryl-4,4-difluorobutanoate.
What is the SMILES notation for ethyl 4-diethoxyphosphoryl-4,4-difluorobutanoate?
The canonical SMILES for ethyl 4-diethoxyphosphoryl-4,4-difluorobutanoate is CCOC(=O)CCC(F)(F)P(=O)(OCC)OCC.
What is the InChIKey of ethyl 4-diethoxyphosphoryl-4,4-difluorobutanoate?
The InChIKey is NSOCZCZGRJNLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2O5P/c1-4-15-9(13)7-8-10(11,12)18(14,16-5-2)17-6-3/h4-8H2,1-3H3.
What are the key properties of ethyl 4-diethoxyphosphoryl-4,4-difluorobutanoate?
ethyl 4-diethoxyphosphoryl-4,4-difluorobutanoate has a molecular weight of 288.23 g/mol, XLogP of 3.19, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-diethoxyphosphoryl-4,4-difluorobutanoate is sourced from PubChem (CID 10446794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).