[2,2,3,3,3-pentafluoro-1,1-bis(trimethylsilyl)propyl] dihydrogen phosphate

C9H20F5O4PSi2 — CID 87637334

IUPAC[2,2,3,3,3-pentafluoro-1,1-bis(trimethylsilyl)propyl] dihydrogen phosphate
SMILESC[Si](C)(C)C(OP(=O)(O)O)(C(F)(F)C(F)(F)F)[Si](C)(C)C
InChIInChI=1S/C9H20F5O4PSi2/c1-20(2,3)9(21(4,5)6,18-19(15,16)17)7(10,11)8(12,13)14/h1-6H3,(H2,15,16,17)
InChIKeyZYKNEXYERATFLB-UHFFFAOYSA-N
MW374.39 g/mol
LogP3.79
Rot. Bonds5

About [2,2,3,3,3-pentafluoro-1,1-bis(trimethylsilyl)propyl] dihydrogen phosphate

[2,2,3,3,3-pentafluoro-1,1-bis(trimethylsilyl)propyl] dihydrogen phosphate (PubChem CID 87637334) has the molecular formula C9H20F5O4PSi2 and a molecular weight of 374.39 g/mol. Its IUPAC name is [2,2,3,3,3-pentafluoro-1,1-bis(trimethylsilyl)propyl] dihydrogen phosphate.

Molecular Properties

Compound Name[2,2,3,3,3-pentafluoro-1,1-bis(trimethylsilyl)propyl] dihydrogen phosphate
PubChem CID87637334
Molecular FormulaC9H20F5O4PSi2
Molecular Weight374.39 g/mol
Exact Mass374.06
IUPAC Name[2,2,3,3,3-pentafluoro-1,1-bis(trimethylsilyl)propyl] dihydrogen phosphate
SMILESC[Si](C)(C)C(OP(=O)(O)O)(C(F)(F)C(F)(F)F)[Si](C)(C)C
InChIInChI=1S/C9H20F5O4PSi2/c1-20(2,3)9(21(4,5)6,18-19(15,16)17)7(10,11)8(12,13)14/h1-6H3,(H2,15,16,17)
InChIKeyZYKNEXYERATFLB-UHFFFAOYSA-N
XLogP3.79
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1,1,1,2,2,4,4,5,5,5-decafluoro-3-methylpentan-3-yl) dihydrogen phosphate
CID 87463098
[1,1,2,2,3-pentafluoro-3,3-bis(trimethylsilyl)propyl] dihydrogen phosphate
CID 87637332
[1,1,1,2,2,4,4,5,5,5-decafluoro-3-(trifluoromethyl)pentan-3-yl] dihydrogen phosphate
CID 87127911
trifluoromethyl dihydrogen phosphate
CID 23129820
(4-ethyl-1,1,1,2,2,3,3-heptafluorooctan-4-yl) dihydrogen phosphate
CID 87919185
[1,1,2-trichloro-2,2-bis(trimethylsilyl)ethyl] dihydrogen phosphate
CID 87637440
[bromo(difluoro)methyl] dihydrogen phosphate
CID 141394885
[hydroxy(dimethoxy)methyl] dihydrogen phosphate
CID 11851022
1,1,1,2,2,3,4,4,5,5,5-undecafluoropentan-3-ylphosphonic acid
CID 87154822
1,1,2,2,3,3,4,4,5-nonafluorohexyl dihydrogen phosphate
CID 87764852
1,1,1,2,2,2-hexafluoroethane;phosphoric acid
CID 159148142
dilithium;hydrogen phosphate;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluorooctane
CID 175326107

Frequently Asked Questions

What is the IUPAC name of [2,2,3,3,3-pentafluoro-1,1-bis(trimethylsilyl)propyl] dihydrogen phosphate?
The IUPAC name of [2,2,3,3,3-pentafluoro-1,1-bis(trimethylsilyl)propyl] dihydrogen phosphate (CID 87637334) is [2,2,3,3,3-pentafluoro-1,1-bis(trimethylsilyl)propyl] dihydrogen phosphate.
What is the SMILES notation for [2,2,3,3,3-pentafluoro-1,1-bis(trimethylsilyl)propyl] dihydrogen phosphate?
The canonical SMILES for [2,2,3,3,3-pentafluoro-1,1-bis(trimethylsilyl)propyl] dihydrogen phosphate is C[Si](C)(C)C(OP(=O)(O)O)(C(F)(F)C(F)(F)F)[Si](C)(C)C.
What is the InChIKey of [2,2,3,3,3-pentafluoro-1,1-bis(trimethylsilyl)propyl] dihydrogen phosphate?
The InChIKey is ZYKNEXYERATFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20F5O4PSi2/c1-20(2,3)9(21(4,5)6,18-19(15,16)17)7(10,11)8(12,13)14/h1-6H3,(H2,15,16,17).
What are the key properties of [2,2,3,3,3-pentafluoro-1,1-bis(trimethylsilyl)propyl] dihydrogen phosphate?
[2,2,3,3,3-pentafluoro-1,1-bis(trimethylsilyl)propyl] dihydrogen phosphate has a molecular weight of 374.39 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2,3,3,3-pentafluoro-1,1-bis(trimethylsilyl)propyl] dihydrogen phosphate is sourced from PubChem (CID 87637334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).