(1,1-difluoro-2-phenyl-2-trimethylsilyloxyethyl)-triphenylphosphanium

C29H30F2OPSi+ — CID 135030392

IUPAC(1,1-difluoro-2-phenyl-2-trimethylsilyloxyethyl)-triphenylphosphanium
SMILESC[Si](C)(C)OC(c1ccccc1)C(F)(F)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H30F2OPSi/c1-34(2,3)32-28(24-16-8-4-9-17-24)29(30,31)33(25-18-10-5-11-19-25,26-20-12-6-13-21-26)27-22-14-7-15-23-27/h4-23,28H,1-3H3/q+1
InChIKeyAFIKIUCZECSVDF-UHFFFAOYSA-N
MW491.61 g/mol
LogP7.17
Rot. Bonds8

About (1,1-difluoro-2-phenyl-2-trimethylsilyloxyethyl)-triphenylphosphanium

(1,1-difluoro-2-phenyl-2-trimethylsilyloxyethyl)-triphenylphosphanium (PubChem CID 135030392) has the molecular formula C29H30F2OPSi+ and a molecular weight of 491.61 g/mol. Its IUPAC name is (1,1-difluoro-2-phenyl-2-trimethylsilyloxyethyl)-triphenylphosphanium.

Molecular Properties

Compound Name(1,1-difluoro-2-phenyl-2-trimethylsilyloxyethyl)-triphenylphosphanium
PubChem CID135030392
Molecular FormulaC29H30F2OPSi+
Molecular Weight491.61 g/mol
Exact Mass491.18
IUPAC Name(1,1-difluoro-2-phenyl-2-trimethylsilyloxyethyl)-triphenylphosphanium
SMILESC[Si](C)(C)OC(c1ccccc1)C(F)(F)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H30F2OPSi/c1-34(2,3)32-28(24-16-8-4-9-17-24)29(30,31)33(25-18-10-5-11-19-25,26-20-12-6-13-21-26)27-22-14-7-15-23-27/h4-23,28H,1-3H3/q+1
InChIKeyAFIKIUCZECSVDF-UHFFFAOYSA-N
XLogP7.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.61
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-Trifluoro-1-phenylethyl trimethylsilyl ether
CID 11218868
Dimethyl(diphenylmethoxy)(pentafluorophenyl)silane
CID 4581060
(2,2-Difluoro-1-phenylbut-3-enoxy)-triethylsilane
CID 166519402
Silane, (diphenylmethoxy)trimethyl-
CID 597386
Silane, dimethylphenyl(1-phenylethoxy)-
CID 11054287
1-Phenylethanol, dimethylpentafluorophenylsilyl ether
CID 85853809
1-Phenylpropanol, dimethylpentafluorophenylsilyl ether
CID 91742948
Triethyl-(2,3,3-trifluoro-1-phenylprop-2-enoxy)silane
CID 13628745
Dimethyl(diphenylmethoxy)phenylsilane
CID 3417473
tert-butyl-[(E)-4-(4-fluorophenyl)-1-phenylbut-3-enoxy]-dimethylsilane
CID 49837092
Triethyl-(2,2,3,3-tetrafluoro-1-phenylpent-4-enoxy)silane
CID 134836305
Trimethyl-[1-phenyl-2-[4-(trifluoromethyl)phenyl]prop-2-enoxy]silane
CID 134942958

Frequently Asked Questions

What is the IUPAC name of (1,1-difluoro-2-phenyl-2-trimethylsilyloxyethyl)-triphenylphosphanium?
The IUPAC name of (1,1-difluoro-2-phenyl-2-trimethylsilyloxyethyl)-triphenylphosphanium (CID 135030392) is (1,1-difluoro-2-phenyl-2-trimethylsilyloxyethyl)-triphenylphosphanium.
What is the SMILES notation for (1,1-difluoro-2-phenyl-2-trimethylsilyloxyethyl)-triphenylphosphanium?
The canonical SMILES for (1,1-difluoro-2-phenyl-2-trimethylsilyloxyethyl)-triphenylphosphanium is C[Si](C)(C)OC(c1ccccc1)C(F)(F)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (1,1-difluoro-2-phenyl-2-trimethylsilyloxyethyl)-triphenylphosphanium?
The InChIKey is AFIKIUCZECSVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30F2OPSi/c1-34(2,3)32-28(24-16-8-4-9-17-24)29(30,31)33(25-18-10-5-11-19-25,26-20-12-6-13-21-26)27-22-14-7-15-23-27/h4-23,28H,1-3H3/q+1.
What are the key properties of (1,1-difluoro-2-phenyl-2-trimethylsilyloxyethyl)-triphenylphosphanium?
(1,1-difluoro-2-phenyl-2-trimethylsilyloxyethyl)-triphenylphosphanium has a molecular weight of 491.61 g/mol, XLogP of 7.17, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-difluoro-2-phenyl-2-trimethylsilyloxyethyl)-triphenylphosphanium is sourced from PubChem (CID 135030392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).