diethoxyphosphoryl 2,2,2-trifluoroacetate

C6H10F3O5P — CID 10037719

IUPACdiethoxyphosphoryl 2,2,2-trifluoroacetate
SMILESCCOP(=O)(OCC)OC(=O)C(F)(F)F
InChIInChI=1S/C6H10F3O5P/c1-3-12-15(11,13-4-2)14-5(10)6(7,8)9/h3-4H2,1-2H3
InChIKeyIQNKCSBFSVBBRY-UHFFFAOYSA-N
MW250.11 g/mol
LogP2.27
Rot. Bonds5

About diethoxyphosphoryl 2,2,2-trifluoroacetate

diethoxyphosphoryl 2,2,2-trifluoroacetate (PubChem CID 10037719) has the molecular formula C6H10F3O5P and a molecular weight of 250.11 g/mol. Its IUPAC name is diethoxyphosphoryl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Namediethoxyphosphoryl 2,2,2-trifluoroacetate
PubChem CID10037719
Molecular FormulaC6H10F3O5P
Molecular Weight250.11 g/mol
Exact Mass250.02
IUPAC Namediethoxyphosphoryl 2,2,2-trifluoroacetate
SMILESCCOP(=O)(OCC)OC(=O)C(F)(F)F
InChIInChI=1S/C6H10F3O5P/c1-3-12-15(11,13-4-2)14-5(10)6(7,8)9/h3-4H2,1-2H3
InChIKeyIQNKCSBFSVBBRY-UHFFFAOYSA-N
XLogP2.27
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.11
LogP ≤ 52.27
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 diethoxyphosphoryl 2,2,2-trifluoroacetate?
The IUPAC name of diethoxyphosphoryl 2,2,2-trifluoroacetate (CID 10037719) is diethoxyphosphoryl 2,2,2-trifluoroacetate.
What is the SMILES notation for diethoxyphosphoryl 2,2,2-trifluoroacetate?
The canonical SMILES for diethoxyphosphoryl 2,2,2-trifluoroacetate is CCOP(=O)(OCC)OC(=O)C(F)(F)F.
What is the InChIKey of diethoxyphosphoryl 2,2,2-trifluoroacetate?
The InChIKey is IQNKCSBFSVBBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3O5P/c1-3-12-15(11,13-4-2)14-5(10)6(7,8)9/h3-4H2,1-2H3.
What are the key properties of diethoxyphosphoryl 2,2,2-trifluoroacetate?
diethoxyphosphoryl 2,2,2-trifluoroacetate has a molecular weight of 250.11 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxyphosphoryl 2,2,2-trifluoroacetate is sourced from PubChem (CID 10037719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).