1-diethoxyphosphoryl-1,1,2,2,2-pentafluoroethane

C6H10F5O3P — CID 71339599

IUPAC1-diethoxyphosphoryl-1,1,2,2,2-pentafluoroethane
SMILESCCOP(=O)(OCC)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H10F5O3P/c1-3-13-15(12,14-4-2)6(10,11)5(7,8)9/h3-4H2,1-2H3
InChIKeyQGLDAVSEPRDLLQ-UHFFFAOYSA-N
MW256.11 g/mol
LogP3.41
Rot. Bonds5

About 1-diethoxyphosphoryl-1,1,2,2,2-pentafluoroethane

1-diethoxyphosphoryl-1,1,2,2,2-pentafluoroethane (PubChem CID 71339599) has the molecular formula C6H10F5O3P and a molecular weight of 256.11 g/mol. Its IUPAC name is 1-diethoxyphosphoryl-1,1,2,2,2-pentafluoroethane.

Molecular Properties

Compound Name1-diethoxyphosphoryl-1,1,2,2,2-pentafluoroethane
PubChem CID71339599
Molecular FormulaC6H10F5O3P
Molecular Weight256.11 g/mol
Exact Mass256.03
IUPAC Name1-diethoxyphosphoryl-1,1,2,2,2-pentafluoroethane
SMILESCCOP(=O)(OCC)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H10F5O3P/c1-3-13-15(12,14-4-2)6(10,11)5(7,8)9/h3-4H2,1-2H3
InChIKeyQGLDAVSEPRDLLQ-UHFFFAOYSA-N
XLogP3.41
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.11
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-diethoxyphosphoryl-1,1,2,2,2-pentafluoroethane 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 1-diethoxyphosphoryl-1,1,2,2,2-pentafluoroethane?
The IUPAC name of 1-diethoxyphosphoryl-1,1,2,2,2-pentafluoroethane (CID 71339599) is 1-diethoxyphosphoryl-1,1,2,2,2-pentafluoroethane.
What is the SMILES notation for 1-diethoxyphosphoryl-1,1,2,2,2-pentafluoroethane?
The canonical SMILES for 1-diethoxyphosphoryl-1,1,2,2,2-pentafluoroethane is CCOP(=O)(OCC)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-diethoxyphosphoryl-1,1,2,2,2-pentafluoroethane?
The InChIKey is QGLDAVSEPRDLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F5O3P/c1-3-13-15(12,14-4-2)6(10,11)5(7,8)9/h3-4H2,1-2H3.
What are the key properties of 1-diethoxyphosphoryl-1,1,2,2,2-pentafluoroethane?
1-diethoxyphosphoryl-1,1,2,2,2-pentafluoroethane has a molecular weight of 256.11 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphoryl-1,1,2,2,2-pentafluoroethane is sourced from PubChem (CID 71339599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).