1,1,3,3,3-pentafluoropropyl bis(trimethylsilyl) phosphate

C9H20F5O4PSi2 — CID 87840955

IUPAC1,1,3,3,3-pentafluoropropyl bis(trimethylsilyl) phosphate
SMILESC[Si](C)(C)OP(=O)(OC(F)(F)CC(F)(F)F)O[Si](C)(C)C
InChIInChI=1S/C9H20F5O4PSi2/c1-20(2,3)17-19(15,18-21(4,5)6)16-9(13,14)7-8(10,11)12/h7H2,1-6H3
InChIKeyDORKICVYSJBZLR-UHFFFAOYSA-N
MW374.39 g/mol
LogP5.36
Rot. Bonds7

About 1,1,3,3,3-pentafluoropropyl bis(trimethylsilyl) phosphate

1,1,3,3,3-pentafluoropropyl bis(trimethylsilyl) phosphate (PubChem CID 87840955) has the molecular formula C9H20F5O4PSi2 and a molecular weight of 374.39 g/mol. Its IUPAC name is 1,1,3,3,3-pentafluoropropyl bis(trimethylsilyl) phosphate.

Molecular Properties

Compound Name1,1,3,3,3-pentafluoropropyl bis(trimethylsilyl) phosphate
PubChem CID87840955
Molecular FormulaC9H20F5O4PSi2
Molecular Weight374.39 g/mol
Exact Mass374.06
IUPAC Name1,1,3,3,3-pentafluoropropyl bis(trimethylsilyl) phosphate
SMILESC[Si](C)(C)OP(=O)(OC(F)(F)CC(F)(F)F)O[Si](C)(C)C
InChIInChI=1S/C9H20F5O4PSi2/c1-20(2,3)17-19(15,18-21(4,5)6)16-9(13,14)7-8(10,11)12/h7H2,1-6H3
InChIKeyDORKICVYSJBZLR-UHFFFAOYSA-N
XLogP5.36
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.39
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 1,1,3,3,3-pentafluoropropyl bis(trimethylsilyl) phosphate?
The IUPAC name of 1,1,3,3,3-pentafluoropropyl bis(trimethylsilyl) phosphate (CID 87840955) is 1,1,3,3,3-pentafluoropropyl bis(trimethylsilyl) phosphate.
What is the SMILES notation for 1,1,3,3,3-pentafluoropropyl bis(trimethylsilyl) phosphate?
The canonical SMILES for 1,1,3,3,3-pentafluoropropyl bis(trimethylsilyl) phosphate is C[Si](C)(C)OP(=O)(OC(F)(F)CC(F)(F)F)O[Si](C)(C)C.
What is the InChIKey of 1,1,3,3,3-pentafluoropropyl bis(trimethylsilyl) phosphate?
The InChIKey is DORKICVYSJBZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20F5O4PSi2/c1-20(2,3)17-19(15,18-21(4,5)6)16-9(13,14)7-8(10,11)12/h7H2,1-6H3.
What are the key properties of 1,1,3,3,3-pentafluoropropyl bis(trimethylsilyl) phosphate?
1,1,3,3,3-pentafluoropropyl bis(trimethylsilyl) phosphate has a molecular weight of 374.39 g/mol, XLogP of 5.36, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3,3-pentafluoropropyl bis(trimethylsilyl) phosphate is sourced from PubChem (CID 87840955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).