ethyl 2-diethoxyphosphoryl-3,3-difluoro-2-methylpropanoate

C10H19F2O5P — CID 146170108

IUPACethyl 2-diethoxyphosphoryl-3,3-difluoro-2-methylpropanoate
SMILESCCOC(=O)C(C)(C(F)F)P(=O)(OCC)OCC
InChIInChI=1S/C10H19F2O5P/c1-5-15-9(13)10(4,8(11)12)18(14,16-6-2)17-7-3/h8H,5-7H2,1-4H3
InChIKeyFRCZAHFUARHDRO-UHFFFAOYSA-N
MW288.23 g/mol
LogP2.84
Rot. Bonds8

About ethyl 2-diethoxyphosphoryl-3,3-difluoro-2-methylpropanoate

ethyl 2-diethoxyphosphoryl-3,3-difluoro-2-methylpropanoate (PubChem CID 146170108) has the molecular formula C10H19F2O5P and a molecular weight of 288.23 g/mol. Its IUPAC name is ethyl 2-diethoxyphosphoryl-3,3-difluoro-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-diethoxyphosphoryl-3,3-difluoro-2-methylpropanoate
PubChem CID146170108
Molecular FormulaC10H19F2O5P
Molecular Weight288.23 g/mol
Exact Mass288.09
IUPAC Nameethyl 2-diethoxyphosphoryl-3,3-difluoro-2-methylpropanoate
SMILESCCOC(=O)C(C)(C(F)F)P(=O)(OCC)OCC
InChIInChI=1S/C10H19F2O5P/c1-5-15-9(13)10(4,8(11)12)18(14,16-6-2)17-7-3/h8H,5-7H2,1-4H3
InChIKeyFRCZAHFUARHDRO-UHFFFAOYSA-N
XLogP2.84
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.23
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 2-diethoxyphosphoryl-3,3-difluoro-2-methylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-diethoxyphosphoryl-3,3-difluoro-2-methylpropanoate?
The IUPAC name of ethyl 2-diethoxyphosphoryl-3,3-difluoro-2-methylpropanoate (CID 146170108) is ethyl 2-diethoxyphosphoryl-3,3-difluoro-2-methylpropanoate.
What is the SMILES notation for ethyl 2-diethoxyphosphoryl-3,3-difluoro-2-methylpropanoate?
The canonical SMILES for ethyl 2-diethoxyphosphoryl-3,3-difluoro-2-methylpropanoate is CCOC(=O)C(C)(C(F)F)P(=O)(OCC)OCC.
What is the InChIKey of ethyl 2-diethoxyphosphoryl-3,3-difluoro-2-methylpropanoate?
The InChIKey is FRCZAHFUARHDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2O5P/c1-5-15-9(13)10(4,8(11)12)18(14,16-6-2)17-7-3/h8H,5-7H2,1-4H3.
What are the key properties of ethyl 2-diethoxyphosphoryl-3,3-difluoro-2-methylpropanoate?
ethyl 2-diethoxyphosphoryl-3,3-difluoro-2-methylpropanoate has a molecular weight of 288.23 g/mol, XLogP of 2.84, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-diethoxyphosphoryl-3,3-difluoro-2-methylpropanoate is sourced from PubChem (CID 146170108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).