lithium 1-[difluoromethyl(ethoxy)phosphoryl]oxyethane

C5H10F2LiO3P — CID 10910399

IUPAClithium 1-[difluoromethyl(ethoxy)phosphoryl]oxyethane
SMILESCCOP(=O)(OCC)[C-](F)F.[Li+]
InChIInChI=1S/C5H10F2O3P.Li/c1-3-9-11(8,5(6)7)10-4-2;/h3-4H2,1-2H3;/q-1;+1
InChIKeyBMUGIQQSQQRAFX-UHFFFAOYSA-N
MW194.04 g/mol
LogP-0.36
Rot. Bonds5

About lithium 1-[difluoromethyl(ethoxy)phosphoryl]oxyethane

lithium 1-[difluoromethyl(ethoxy)phosphoryl]oxyethane (PubChem CID 10910399) has the molecular formula C5H10F2LiO3P and a molecular weight of 194.04 g/mol. Its IUPAC name is lithium 1-[difluoromethyl(ethoxy)phosphoryl]oxyethane.

Molecular Properties

Compound Namelithium 1-[difluoromethyl(ethoxy)phosphoryl]oxyethane
PubChem CID10910399
Molecular FormulaC5H10F2LiO3P
Molecular Weight194.04 g/mol
Exact Mass194.05
IUPAC Namelithium 1-[difluoromethyl(ethoxy)phosphoryl]oxyethane
SMILESCCOP(=O)(OCC)[C-](F)F.[Li+]
InChIInChI=1S/C5H10F2O3P.Li/c1-3-9-11(8,5(6)7)10-4-2;/h3-4H2,1-2H3;/q-1;+1
InChIKeyBMUGIQQSQQRAFX-UHFFFAOYSA-N
XLogP-0.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.04
LogP ≤ 5-0.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze lithium 1-[difluoromethyl(ethoxy)phosphoryl]oxyethane 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 lithium 1-[difluoromethyl(ethoxy)phosphoryl]oxyethane?
The IUPAC name of lithium 1-[difluoromethyl(ethoxy)phosphoryl]oxyethane (CID 10910399) is lithium 1-[difluoromethyl(ethoxy)phosphoryl]oxyethane.
What is the SMILES notation for lithium 1-[difluoromethyl(ethoxy)phosphoryl]oxyethane?
The canonical SMILES for lithium 1-[difluoromethyl(ethoxy)phosphoryl]oxyethane is CCOP(=O)(OCC)[C-](F)F.[Li+].
What is the InChIKey of lithium 1-[difluoromethyl(ethoxy)phosphoryl]oxyethane?
The InChIKey is BMUGIQQSQQRAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F2O3P.Li/c1-3-9-11(8,5(6)7)10-4-2;/h3-4H2,1-2H3;/q-1;+1.
What are the key properties of lithium 1-[difluoromethyl(ethoxy)phosphoryl]oxyethane?
lithium 1-[difluoromethyl(ethoxy)phosphoryl]oxyethane has a molecular weight of 194.04 g/mol, XLogP of -0.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-[difluoromethyl(ethoxy)phosphoryl]oxyethane is sourced from PubChem (CID 10910399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).