2,2,2-trifluoroethyl [ethoxy(2,2,2-trifluoroethoxy)phosphoryl]formate

C7H9F6O5P — CID 90759241

IUPAC2,2,2-trifluoroethyl [ethoxy(2,2,2-trifluoroethoxy)phosphoryl]formate
SMILESCCOP(=O)(OCC(F)(F)F)C(=O)OCC(F)(F)F
InChIInChI=1S/C7H9F6O5P/c1-2-17-19(15,18-4-7(11,12)13)5(14)16-3-6(8,9)10/h2-4H2,1H3
InChIKeyUPEMPEZIKMOQCN-UHFFFAOYSA-N
MW318.11 g/mol
LogP3.49
Rot. Bonds6

About 2,2,2-trifluoroethyl [ethoxy(2,2,2-trifluoroethoxy)phosphoryl]formate

2,2,2-trifluoroethyl [ethoxy(2,2,2-trifluoroethoxy)phosphoryl]formate (PubChem CID 90759241) has the molecular formula C7H9F6O5P and a molecular weight of 318.11 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl [ethoxy(2,2,2-trifluoroethoxy)phosphoryl]formate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl [ethoxy(2,2,2-trifluoroethoxy)phosphoryl]formate
PubChem CID90759241
Molecular FormulaC7H9F6O5P
Molecular Weight318.11 g/mol
Exact Mass318.01
IUPAC Name2,2,2-trifluoroethyl [ethoxy(2,2,2-trifluoroethoxy)phosphoryl]formate
SMILESCCOP(=O)(OCC(F)(F)F)C(=O)OCC(F)(F)F
InChIInChI=1S/C7H9F6O5P/c1-2-17-19(15,18-4-7(11,12)13)5(14)16-3-6(8,9)10/h2-4H2,1H3
InChIKeyUPEMPEZIKMOQCN-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'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl [ethoxy(2,2,2-trifluoroethoxy)phosphoryl]formate?
The IUPAC name of 2,2,2-trifluoroethyl [ethoxy(2,2,2-trifluoroethoxy)phosphoryl]formate (CID 90759241) is 2,2,2-trifluoroethyl [ethoxy(2,2,2-trifluoroethoxy)phosphoryl]formate.
What is the SMILES notation for 2,2,2-trifluoroethyl [ethoxy(2,2,2-trifluoroethoxy)phosphoryl]formate?
The canonical SMILES for 2,2,2-trifluoroethyl [ethoxy(2,2,2-trifluoroethoxy)phosphoryl]formate is CCOP(=O)(OCC(F)(F)F)C(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl [ethoxy(2,2,2-trifluoroethoxy)phosphoryl]formate?
The InChIKey is UPEMPEZIKMOQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F6O5P/c1-2-17-19(15,18-4-7(11,12)13)5(14)16-3-6(8,9)10/h2-4H2,1H3.
What are the key properties of 2,2,2-trifluoroethyl [ethoxy(2,2,2-trifluoroethoxy)phosphoryl]formate?
2,2,2-trifluoroethyl [ethoxy(2,2,2-trifluoroethoxy)phosphoryl]formate 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 2,2,2-trifluoroethyl [ethoxy(2,2,2-trifluoroethoxy)phosphoryl]formate is sourced from PubChem (CID 90759241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).