trimethyl-[(1S,4R)-2,2,3,3-tetrafluoro-1,4-diphenyl-4-trimethylsilyloxycyclobutyl]oxysilane

C22H28F4O2Si2 — CID 15472628

IUPACtrimethyl-[(1S,4R)-2,2,3,3-tetrafluoro-1,4-diphenyl-4-trimethylsilyloxycyclobutyl]oxysilane
SMILESC[Si](C)(C)O[C@]1(c2ccccc2)C(F)(F)C(F)(F)[C@@]1(O[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C22H28F4O2Si2/c1-29(2,3)27-19(17-13-9-7-10-14-17)20(28-30(4,5)6,18-15-11-8-12-16-18)22(25,26)21(19,23)24/h7-16H,1-6H3/t19-,20+
InChIKeyGNPIHALXCLIOMB-BGYRXZFFSA-N
MW456.63 g/mol
LogP6.76
Rot. Bonds6

About trimethyl-[(1S,4R)-2,2,3,3-tetrafluoro-1,4-diphenyl-4-trimethylsilyloxycyclobutyl]oxysilane

trimethyl-[(1S,4R)-2,2,3,3-tetrafluoro-1,4-diphenyl-4-trimethylsilyloxycyclobutyl]oxysilane (PubChem CID 15472628) has the molecular formula C22H28F4O2Si2 and a molecular weight of 456.63 g/mol. Its IUPAC name is trimethyl-[(1S,4R)-2,2,3,3-tetrafluoro-1,4-diphenyl-4-trimethylsilyloxycyclobutyl]oxysilane.

Molecular Properties

Compound Nametrimethyl-[(1S,4R)-2,2,3,3-tetrafluoro-1,4-diphenyl-4-trimethylsilyloxycyclobutyl]oxysilane
PubChem CID15472628
Molecular FormulaC22H28F4O2Si2
Molecular Weight456.63 g/mol
Exact Mass456.16
IUPAC Nametrimethyl-[(1S,4R)-2,2,3,3-tetrafluoro-1,4-diphenyl-4-trimethylsilyloxycyclobutyl]oxysilane
SMILESC[Si](C)(C)O[C@]1(c2ccccc2)C(F)(F)C(F)(F)[C@@]1(O[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C22H28F4O2Si2/c1-29(2,3)27-19(17-13-9-7-10-14-17)20(28-30(4,5)6,18-15-11-8-12-16-18)22(25,26)21(19,23)24/h7-16H,1-6H3/t19-,20+
InChIKeyGNPIHALXCLIOMB-BGYRXZFFSA-N
XLogP6.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.63
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze trimethyl-[(1S,4R)-2,2,3,3-tetrafluoro-1,4-diphenyl-4-trimethylsilyloxycyclobutyl]oxysilane with MolForge

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Related Compounds

2-[4-[Cyclohexyl(dimethyl)silyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 168278822
2-[4-[Benzyl(dimethyl)silyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 168281096
2-[4-[Dimethyl(phenyl)silyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 168285849
1,1,1,3,3,3-Hexafluoro-2-[4-(hydroxy-methyl-phenylsilyl)phenyl]propan-2-ol
CID 168289966
Silane, trimethyl(2,2,2-trifluoro-1,1-diphenylethoxy)-
CID 11255795
1,1-Difluoro-2-(trimethylsiloxy)-2-phenylcyclopropane
CID 53307532
(1,1,1,4,4,4-Hexafluoro-2-methyl-3-phenyl-3-trimethylsilyloxybutan-2-yl)oxy-trimethylsilane
CID 10526738
2,3-Diphenyl-2,3-bis(triethylsiloxy)hexafluorobutane
CID 12534368
1,1-Bis[(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)oxy]-3,3-dimethyl-1lambda4-selenetane
CID 12616921
2,3-Diphenyl-2,3-bis(triethylgermoxy)hexafluorobutane
CID 16693490
Silane, trimethyl(2,2,2-trifluoro-1-methyl-1-phenylethoxy)-
CID 11637497
tert-butyl-[(E)-5-[dimethyl(phenyl)silyl]-1-[4-(trifluoromethyl)phenyl]pent-3-enoxy]-dimethylsilane
CID 12124315

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(1S,4R)-2,2,3,3-tetrafluoro-1,4-diphenyl-4-trimethylsilyloxycyclobutyl]oxysilane?
The IUPAC name of trimethyl-[(1S,4R)-2,2,3,3-tetrafluoro-1,4-diphenyl-4-trimethylsilyloxycyclobutyl]oxysilane (CID 15472628) is trimethyl-[(1S,4R)-2,2,3,3-tetrafluoro-1,4-diphenyl-4-trimethylsilyloxycyclobutyl]oxysilane.
What is the SMILES notation for trimethyl-[(1S,4R)-2,2,3,3-tetrafluoro-1,4-diphenyl-4-trimethylsilyloxycyclobutyl]oxysilane?
The canonical SMILES for trimethyl-[(1S,4R)-2,2,3,3-tetrafluoro-1,4-diphenyl-4-trimethylsilyloxycyclobutyl]oxysilane is C[Si](C)(C)O[C@]1(c2ccccc2)C(F)(F)C(F)(F)[C@@]1(O[Si](C)(C)C)c1ccccc1.
What is the InChIKey of trimethyl-[(1S,4R)-2,2,3,3-tetrafluoro-1,4-diphenyl-4-trimethylsilyloxycyclobutyl]oxysilane?
The InChIKey is GNPIHALXCLIOMB-BGYRXZFFSA-N. The full InChI is InChI=1S/C22H28F4O2Si2/c1-29(2,3)27-19(17-13-9-7-10-14-17)20(28-30(4,5)6,18-15-11-8-12-16-18)22(25,26)21(19,23)24/h7-16H,1-6H3/t19-,20+.
What are the key properties of trimethyl-[(1S,4R)-2,2,3,3-tetrafluoro-1,4-diphenyl-4-trimethylsilyloxycyclobutyl]oxysilane?
trimethyl-[(1S,4R)-2,2,3,3-tetrafluoro-1,4-diphenyl-4-trimethylsilyloxycyclobutyl]oxysilane has a molecular weight of 456.63 g/mol, XLogP of 6.76, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(1S,4R)-2,2,3,3-tetrafluoro-1,4-diphenyl-4-trimethylsilyloxycyclobutyl]oxysilane is sourced from PubChem (CID 15472628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).