dimethyl 2,2,3,3,3-pentafluoropropyl phosphate

C5H8F5O4P — CID 15466708

IUPACdimethyl 2,2,3,3,3-pentafluoropropyl phosphate
SMILESCOP(=O)(OC)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C5H8F5O4P/c1-12-15(11,13-2)14-3-4(6,7)5(8,9)10/h3H2,1-2H3
InChIKeyXVYIUIITVLUBGJ-UHFFFAOYSA-N
MW258.08 g/mol
LogP2.60
Rot. Bonds5

About dimethyl 2,2,3,3,3-pentafluoropropyl phosphate

dimethyl 2,2,3,3,3-pentafluoropropyl phosphate (PubChem CID 15466708) has the molecular formula C5H8F5O4P and a molecular weight of 258.08 g/mol. Its IUPAC name is dimethyl 2,2,3,3,3-pentafluoropropyl phosphate.

Molecular Properties

Compound Namedimethyl 2,2,3,3,3-pentafluoropropyl phosphate
PubChem CID15466708
Molecular FormulaC5H8F5O4P
Molecular Weight258.08 g/mol
Exact Mass258.01
IUPAC Namedimethyl 2,2,3,3,3-pentafluoropropyl phosphate
SMILESCOP(=O)(OC)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C5H8F5O4P/c1-12-15(11,13-2)14-3-4(6,7)5(8,9)10/h3H2,1-2H3
InChIKeyXVYIUIITVLUBGJ-UHFFFAOYSA-N
XLogP2.60
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.08
LogP ≤ 52.60
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 dimethyl 2,2,3,3,3-pentafluoropropyl phosphate?
The IUPAC name of dimethyl 2,2,3,3,3-pentafluoropropyl phosphate (CID 15466708) is dimethyl 2,2,3,3,3-pentafluoropropyl phosphate.
What is the SMILES notation for dimethyl 2,2,3,3,3-pentafluoropropyl phosphate?
The canonical SMILES for dimethyl 2,2,3,3,3-pentafluoropropyl phosphate is COP(=O)(OC)OCC(F)(F)C(F)(F)F.
What is the InChIKey of dimethyl 2,2,3,3,3-pentafluoropropyl phosphate?
The InChIKey is XVYIUIITVLUBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F5O4P/c1-12-15(11,13-2)14-3-4(6,7)5(8,9)10/h3H2,1-2H3.
What are the key properties of dimethyl 2,2,3,3,3-pentafluoropropyl phosphate?
dimethyl 2,2,3,3,3-pentafluoropropyl phosphate has a molecular weight of 258.08 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2,2,3,3,3-pentafluoropropyl phosphate is sourced from PubChem (CID 15466708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).