diethyl 2,2,3,3-tetrafluoropropyl phosphate

C7H13F4O4P — CID 15306052

IUPACdiethyl 2,2,3,3-tetrafluoropropyl phosphate
SMILESCCOP(=O)(OCC)OCC(F)(F)C(F)F
InChIInChI=1S/C7H13F4O4P/c1-3-13-16(12,14-4-2)15-5-7(10,11)6(8)9/h6H,3-5H2,1-2H3
InChIKeyHPRUMHKTRIPOIP-UHFFFAOYSA-N
MW268.14 g/mol
LogP3.08
Rot. Bonds8

About diethyl 2,2,3,3-tetrafluoropropyl phosphate

diethyl 2,2,3,3-tetrafluoropropyl phosphate (PubChem CID 15306052) has the molecular formula C7H13F4O4P and a molecular weight of 268.14 g/mol. Its IUPAC name is diethyl 2,2,3,3-tetrafluoropropyl phosphate.

Molecular Properties

Compound Namediethyl 2,2,3,3-tetrafluoropropyl phosphate
PubChem CID15306052
Molecular FormulaC7H13F4O4P
Molecular Weight268.14 g/mol
Exact Mass268.05
IUPAC Namediethyl 2,2,3,3-tetrafluoropropyl phosphate
SMILESCCOP(=O)(OCC)OCC(F)(F)C(F)F
InChIInChI=1S/C7H13F4O4P/c1-3-13-16(12,14-4-2)15-5-7(10,11)6(8)9/h6H,3-5H2,1-2H3
InChIKeyHPRUMHKTRIPOIP-UHFFFAOYSA-N
XLogP3.08
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.14
LogP ≤ 53.08
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-tetrafluoropropyl phosphate?
The IUPAC name of diethyl 2,2,3,3-tetrafluoropropyl phosphate (CID 15306052) is diethyl 2,2,3,3-tetrafluoropropyl phosphate.
What is the SMILES notation for diethyl 2,2,3,3-tetrafluoropropyl phosphate?
The canonical SMILES for diethyl 2,2,3,3-tetrafluoropropyl phosphate is CCOP(=O)(OCC)OCC(F)(F)C(F)F.
What is the InChIKey of diethyl 2,2,3,3-tetrafluoropropyl phosphate?
The InChIKey is HPRUMHKTRIPOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F4O4P/c1-3-13-16(12,14-4-2)15-5-7(10,11)6(8)9/h6H,3-5H2,1-2H3.
What are the key properties of diethyl 2,2,3,3-tetrafluoropropyl phosphate?
diethyl 2,2,3,3-tetrafluoropropyl phosphate has a molecular weight of 268.14 g/mol, XLogP of 3.08, 8 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-tetrafluoropropyl phosphate is sourced from PubChem (CID 15306052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).