[dimethyl(3,3,3-trifluoropropyl)silyl]oxy-fluorophosphinic acid

C5H11F4O3PSi — CID 178182579

IUPAC[dimethyl(3,3,3-trifluoropropyl)silyl]oxy-fluorophosphinic acid
SMILESC[Si](C)(CCC(F)(F)F)OP(=O)(O)F
InChIInChI=1S/C5H11F4O3PSi/c1-14(2,12-13(9,10)11)4-3-5(6,7)8/h3-4H2,1-2H3,(H,10,11)
InChIKeyLRFWOJCARFRKDA-UHFFFAOYSA-N
MW254.19 g/mol
LogP3.23
Rot. Bonds4

About [dimethyl(3,3,3-trifluoropropyl)silyl]oxy-fluorophosphinic acid

[dimethyl(3,3,3-trifluoropropyl)silyl]oxy-fluorophosphinic acid (PubChem CID 178182579) has the molecular formula C5H11F4O3PSi and a molecular weight of 254.19 g/mol. Its IUPAC name is [dimethyl(3,3,3-trifluoropropyl)silyl]oxy-fluorophosphinic acid.

Molecular Properties

Compound Name[dimethyl(3,3,3-trifluoropropyl)silyl]oxy-fluorophosphinic acid
PubChem CID178182579
Molecular FormulaC5H11F4O3PSi
Molecular Weight254.19 g/mol
Exact Mass254.02
IUPAC Name[dimethyl(3,3,3-trifluoropropyl)silyl]oxy-fluorophosphinic acid
SMILESC[Si](C)(CCC(F)(F)F)OP(=O)(O)F
InChIInChI=1S/C5H11F4O3PSi/c1-14(2,12-13(9,10)11)4-3-5(6,7)8/h3-4H2,1-2H3,(H,10,11)
InChIKeyLRFWOJCARFRKDA-UHFFFAOYSA-N
XLogP3.23
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.19
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [dimethyl(3,3,3-trifluoropropyl)silyl]oxy-fluorophosphinic acid?
The IUPAC name of [dimethyl(3,3,3-trifluoropropyl)silyl]oxy-fluorophosphinic acid (CID 178182579) is [dimethyl(3,3,3-trifluoropropyl)silyl]oxy-fluorophosphinic acid.
What is the SMILES notation for [dimethyl(3,3,3-trifluoropropyl)silyl]oxy-fluorophosphinic acid?
The canonical SMILES for [dimethyl(3,3,3-trifluoropropyl)silyl]oxy-fluorophosphinic acid is C[Si](C)(CCC(F)(F)F)OP(=O)(O)F.
What is the InChIKey of [dimethyl(3,3,3-trifluoropropyl)silyl]oxy-fluorophosphinic acid?
The InChIKey is LRFWOJCARFRKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F4O3PSi/c1-14(2,12-13(9,10)11)4-3-5(6,7)8/h3-4H2,1-2H3,(H,10,11).
What are the key properties of [dimethyl(3,3,3-trifluoropropyl)silyl]oxy-fluorophosphinic acid?
[dimethyl(3,3,3-trifluoropropyl)silyl]oxy-fluorophosphinic acid has a molecular weight of 254.19 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethyl(3,3,3-trifluoropropyl)silyl]oxy-fluorophosphinic acid is sourced from PubChem (CID 178182579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).