ethyl bis(2,2,2-trifluoroethyl) phosphate

C6H9F6O4P — CID 13368239

IUPACethyl bis(2,2,2-trifluoroethyl) phosphate
SMILESCCOP(=O)(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C6H9F6O4P/c1-2-14-17(13,15-3-5(7,8)9)16-4-6(10,11)12/h2-4H2,1H3
InChIKeyJDVCDTVFGALNDG-UHFFFAOYSA-N
MW290.10 g/mol
LogP3.29
Rot. Bonds6

About ethyl bis(2,2,2-trifluoroethyl) phosphate

ethyl bis(2,2,2-trifluoroethyl) phosphate (PubChem CID 13368239) has the molecular formula C6H9F6O4P and a molecular weight of 290.10 g/mol. Its IUPAC name is ethyl bis(2,2,2-trifluoroethyl) phosphate.

Molecular Properties

Compound Nameethyl bis(2,2,2-trifluoroethyl) phosphate
PubChem CID13368239
Molecular FormulaC6H9F6O4P
Molecular Weight290.10 g/mol
Exact Mass290.01
IUPAC Nameethyl bis(2,2,2-trifluoroethyl) phosphate
SMILESCCOP(=O)(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C6H9F6O4P/c1-2-14-17(13,15-3-5(7,8)9)16-4-6(10,11)12/h2-4H2,1H3
InChIKeyJDVCDTVFGALNDG-UHFFFAOYSA-N
XLogP3.29
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.10
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl bis(2,2,2-trifluoroethyl) phosphate?
The IUPAC name of ethyl bis(2,2,2-trifluoroethyl) phosphate (CID 13368239) is ethyl bis(2,2,2-trifluoroethyl) phosphate.
What is the SMILES notation for ethyl bis(2,2,2-trifluoroethyl) phosphate?
The canonical SMILES for ethyl bis(2,2,2-trifluoroethyl) phosphate is CCOP(=O)(OCC(F)(F)F)OCC(F)(F)F.
What is the InChIKey of ethyl bis(2,2,2-trifluoroethyl) phosphate?
The InChIKey is JDVCDTVFGALNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F6O4P/c1-2-14-17(13,15-3-5(7,8)9)16-4-6(10,11)12/h2-4H2,1H3.
What are the key properties of ethyl bis(2,2,2-trifluoroethyl) phosphate?
ethyl bis(2,2,2-trifluoroethyl) phosphate has a molecular weight of 290.10 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl bis(2,2,2-trifluoroethyl) phosphate is sourced from PubChem (CID 13368239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).