ethyl bis(2,2,2-trifluoroethoxy)phosphorylformate

C7H9F6O5P — CID 87359199

IUPACethyl bis(2,2,2-trifluoroethoxy)phosphorylformate
SMILESCCOC(=O)P(=O)(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C7H9F6O5P/c1-2-16-5(14)19(15,17-3-6(8,9)10)18-4-7(11,12)13/h2-4H2,1H3
InChIKeyZTUSXJIMDAGXST-UHFFFAOYSA-N
MW318.11 g/mol
LogP3.49
Rot. Bonds6

About ethyl bis(2,2,2-trifluoroethoxy)phosphorylformate

ethyl bis(2,2,2-trifluoroethoxy)phosphorylformate (PubChem CID 87359199) has the molecular formula C7H9F6O5P and a molecular weight of 318.11 g/mol. Its IUPAC name is ethyl bis(2,2,2-trifluoroethoxy)phosphorylformate.

Molecular Properties

Compound Nameethyl bis(2,2,2-trifluoroethoxy)phosphorylformate
PubChem CID87359199
Molecular FormulaC7H9F6O5P
Molecular Weight318.11 g/mol
Exact Mass318.01
IUPAC Nameethyl bis(2,2,2-trifluoroethoxy)phosphorylformate
SMILESCCOC(=O)P(=O)(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C7H9F6O5P/c1-2-16-5(14)19(15,17-3-6(8,9)10)18-4-7(11,12)13/h2-4H2,1H3
InChIKeyZTUSXJIMDAGXST-UHFFFAOYSA-N
XLogP3.49
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.11
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl bis(2,2,2-trifluoroethoxy)phosphorylformate 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 bis(2,2,2-trifluoroethoxy)phosphorylformate?
The IUPAC name of ethyl bis(2,2,2-trifluoroethoxy)phosphorylformate (CID 87359199) is ethyl bis(2,2,2-trifluoroethoxy)phosphorylformate.
What is the SMILES notation for ethyl bis(2,2,2-trifluoroethoxy)phosphorylformate?
The canonical SMILES for ethyl bis(2,2,2-trifluoroethoxy)phosphorylformate is CCOC(=O)P(=O)(OCC(F)(F)F)OCC(F)(F)F.
What is the InChIKey of ethyl bis(2,2,2-trifluoroethoxy)phosphorylformate?
The InChIKey is ZTUSXJIMDAGXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F6O5P/c1-2-16-5(14)19(15,17-3-6(8,9)10)18-4-7(11,12)13/h2-4H2,1H3.
What are the key properties of ethyl bis(2,2,2-trifluoroethoxy)phosphorylformate?
ethyl bis(2,2,2-trifluoroethoxy)phosphorylformate has a molecular weight of 318.11 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl bis(2,2,2-trifluoroethoxy)phosphorylformate is sourced from PubChem (CID 87359199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).