[2-oxo-2-(2,2,2-trifluoroethoxy)ethyl]-(2,2,2-trifluoroethoxy)phosphinic acid

C6H7F6O5P — CID 87580353

IUPAC[2-oxo-2-(2,2,2-trifluoroethoxy)ethyl]-(2,2,2-trifluoroethoxy)phosphinic acid
SMILESO=C(CP(=O)(O)OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C6H7F6O5P/c7-5(8,9)2-16-4(13)1-18(14,15)17-3-6(10,11)12/h1-3H2,(H,14,15)
InChIKeyZJDWFAVALQXOMS-UHFFFAOYSA-N
MW304.08 g/mol
LogP1.86
Rot. Bonds5

About [2-oxo-2-(2,2,2-trifluoroethoxy)ethyl]-(2,2,2-trifluoroethoxy)phosphinic acid

[2-oxo-2-(2,2,2-trifluoroethoxy)ethyl]-(2,2,2-trifluoroethoxy)phosphinic acid (PubChem CID 87580353) has the molecular formula C6H7F6O5P and a molecular weight of 304.08 g/mol. Its IUPAC name is [2-oxo-2-(2,2,2-trifluoroethoxy)ethyl]-(2,2,2-trifluoroethoxy)phosphinic acid.

Molecular Properties

Compound Name[2-oxo-2-(2,2,2-trifluoroethoxy)ethyl]-(2,2,2-trifluoroethoxy)phosphinic acid
PubChem CID87580353
Molecular FormulaC6H7F6O5P
Molecular Weight304.08 g/mol
Exact Mass303.99
IUPAC Name[2-oxo-2-(2,2,2-trifluoroethoxy)ethyl]-(2,2,2-trifluoroethoxy)phosphinic acid
SMILESO=C(CP(=O)(O)OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C6H7F6O5P/c7-5(8,9)2-16-4(13)1-18(14,15)17-3-6(10,11)12/h1-3H2,(H,14,15)
InChIKeyZJDWFAVALQXOMS-UHFFFAOYSA-N
XLogP1.86
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.08
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

aminomethyl(2,2,2-trifluoroethoxy)phosphinic acid
CID 15184680
ethyl 2-[bis(2,2,2-trifluoroethoxy)phosphoryl]acetate
CID 11759356
bis(2,2,2-trifluoroethyl) hydrogen phosphate;methanamine
CID 171929952
2,2,2-trifluoroethoxy(trifluoromethyl)phosphinic acid
CID 118503856
ethoxy-(2-ethoxy-2-oxoethyl)phosphinic acid
CID 3613986
bis(2,2,2-trifluoroethyl) decanedioate
CID 22271802
bis(bis(2,2,2-trifluoroethyl) phosphate);cobalt(2+)
CID 175761195
2,2,2-trifluoroethyl trimethylsilyl hydrogen phosphate
CID 174547612
6-oxo-6-(2,2,2-trifluoroethoxy)hexanoate
CID 152751982
alumane;fluoro 2,2,2-trifluoroethyl hydrogen phosphate
CID 175262525
bis(2,2,2-trifluoroethyl) hydrogen phosphate;N-methylmethanamine
CID 118073252
2,2,2-trifluoroethyl 4-chloro-4-oxobutanoate
CID 90333001

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2,2,2-trifluoroethoxy)ethyl]-(2,2,2-trifluoroethoxy)phosphinic acid?
The IUPAC name of [2-oxo-2-(2,2,2-trifluoroethoxy)ethyl]-(2,2,2-trifluoroethoxy)phosphinic acid (CID 87580353) is [2-oxo-2-(2,2,2-trifluoroethoxy)ethyl]-(2,2,2-trifluoroethoxy)phosphinic acid.
What is the SMILES notation for [2-oxo-2-(2,2,2-trifluoroethoxy)ethyl]-(2,2,2-trifluoroethoxy)phosphinic acid?
The canonical SMILES for [2-oxo-2-(2,2,2-trifluoroethoxy)ethyl]-(2,2,2-trifluoroethoxy)phosphinic acid is O=C(CP(=O)(O)OCC(F)(F)F)OCC(F)(F)F.
What is the InChIKey of [2-oxo-2-(2,2,2-trifluoroethoxy)ethyl]-(2,2,2-trifluoroethoxy)phosphinic acid?
The InChIKey is ZJDWFAVALQXOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F6O5P/c7-5(8,9)2-16-4(13)1-18(14,15)17-3-6(10,11)12/h1-3H2,(H,14,15).
What are the key properties of [2-oxo-2-(2,2,2-trifluoroethoxy)ethyl]-(2,2,2-trifluoroethoxy)phosphinic acid?
[2-oxo-2-(2,2,2-trifluoroethoxy)ethyl]-(2,2,2-trifluoroethoxy)phosphinic acid has a molecular weight of 304.08 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2,2,2-trifluoroethoxy)ethyl]-(2,2,2-trifluoroethoxy)phosphinic acid is sourced from PubChem (CID 87580353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).