2,2,3,3-tetrafluoropropyl dihydrogen phosphate

C3H5F4O4P — CID 14027070

IUPAC2,2,3,3-tetrafluoropropyl dihydrogen phosphate
SMILESO=P(O)(O)OCC(F)(F)C(F)F
InChIInChI=1S/C3H5F4O4P/c4-2(5)3(6,7)1-11-12(8,9)10/h2H,1H2,(H2,8,9,10)
InChIKeyCQEJZHHECZXRFX-UHFFFAOYSA-N
MW212.03 g/mol
LogP1.00
Rot. Bonds4

About 2,2,3,3-tetrafluoropropyl dihydrogen phosphate

2,2,3,3-tetrafluoropropyl dihydrogen phosphate (PubChem CID 14027070) has the molecular formula C3H5F4O4P and a molecular weight of 212.03 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoropropyl dihydrogen phosphate.

Molecular Properties

Compound Name2,2,3,3-tetrafluoropropyl dihydrogen phosphate
PubChem CID14027070
Molecular FormulaC3H5F4O4P
Molecular Weight212.03 g/mol
Exact Mass211.99
IUPAC Name2,2,3,3-tetrafluoropropyl dihydrogen phosphate
SMILESO=P(O)(O)OCC(F)(F)C(F)F
InChIInChI=1S/C3H5F4O4P/c4-2(5)3(6,7)1-11-12(8,9)10/h2H,1H2,(H2,8,9,10)
InChIKeyCQEJZHHECZXRFX-UHFFFAOYSA-N
XLogP1.00
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.03
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2,2,3,3-tetrafluoropropyl dihydrogen phosphate?
The IUPAC name of 2,2,3,3-tetrafluoropropyl dihydrogen phosphate (CID 14027070) is 2,2,3,3-tetrafluoropropyl dihydrogen phosphate.
What is the SMILES notation for 2,2,3,3-tetrafluoropropyl dihydrogen phosphate?
The canonical SMILES for 2,2,3,3-tetrafluoropropyl dihydrogen phosphate is O=P(O)(O)OCC(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoropropyl dihydrogen phosphate?
The InChIKey is CQEJZHHECZXRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F4O4P/c4-2(5)3(6,7)1-11-12(8,9)10/h2H,1H2,(H2,8,9,10).
What are the key properties of 2,2,3,3-tetrafluoropropyl dihydrogen phosphate?
2,2,3,3-tetrafluoropropyl dihydrogen phosphate has a molecular weight of 212.03 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoropropyl dihydrogen phosphate is sourced from PubChem (CID 14027070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).