diethyl 2,2,3,3,3-pentafluoropropyl phosphate

C7H12F5O4P — CID 15466712

IUPACdiethyl 2,2,3,3,3-pentafluoropropyl phosphate
SMILESCCOP(=O)(OCC)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C7H12F5O4P/c1-3-14-17(13,15-4-2)16-5-6(8,9)7(10,11)12/h3-5H2,1-2H3
InChIKeyYQADBXPQNKEKRI-UHFFFAOYSA-N
MW286.13 g/mol
LogP3.38
Rot. Bonds7

About diethyl 2,2,3,3,3-pentafluoropropyl phosphate

diethyl 2,2,3,3,3-pentafluoropropyl phosphate (PubChem CID 15466712) has the molecular formula C7H12F5O4P and a molecular weight of 286.13 g/mol. Its IUPAC name is diethyl 2,2,3,3,3-pentafluoropropyl phosphate.

Molecular Properties

Compound Namediethyl 2,2,3,3,3-pentafluoropropyl phosphate
PubChem CID15466712
Molecular FormulaC7H12F5O4P
Molecular Weight286.13 g/mol
Exact Mass286.04
IUPAC Namediethyl 2,2,3,3,3-pentafluoropropyl phosphate
SMILESCCOP(=O)(OCC)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C7H12F5O4P/c1-3-14-17(13,15-4-2)16-5-6(8,9)7(10,11)12/h3-5H2,1-2H3
InChIKeyYQADBXPQNKEKRI-UHFFFAOYSA-N
XLogP3.38
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.13
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethyl 2,2,3,3,3-pentafluoropropyl phosphate?
The IUPAC name of diethyl 2,2,3,3,3-pentafluoropropyl phosphate (CID 15466712) is diethyl 2,2,3,3,3-pentafluoropropyl phosphate.
What is the SMILES notation for diethyl 2,2,3,3,3-pentafluoropropyl phosphate?
The canonical SMILES for diethyl 2,2,3,3,3-pentafluoropropyl phosphate is CCOP(=O)(OCC)OCC(F)(F)C(F)(F)F.
What is the InChIKey of diethyl 2,2,3,3,3-pentafluoropropyl phosphate?
The InChIKey is YQADBXPQNKEKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F5O4P/c1-3-14-17(13,15-4-2)16-5-6(8,9)7(10,11)12/h3-5H2,1-2H3.
What are the key properties of diethyl 2,2,3,3,3-pentafluoropropyl phosphate?
diethyl 2,2,3,3,3-pentafluoropropyl phosphate has a molecular weight of 286.13 g/mol, XLogP of 3.38, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2,2,3,3,3-pentafluoropropyl phosphate is sourced from PubChem (CID 15466712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).