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

C22H28F4O2Si2 — CID 15472627

IUPACtrimethyl-[(1S,4S)-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-/m0/s1
InChIKeyGNPIHALXCLIOMB-PMACEKPBSA-N
MW456.63 g/mol
LogP6.76
Rot. Bonds6

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

trimethyl-[(1S,4S)-2,2,3,3-tetrafluoro-1,4-diphenyl-4-trimethylsilyloxycyclobutyl]oxysilane (PubChem CID 15472627) has the molecular formula C22H28F4O2Si2 and a molecular weight of 456.63 g/mol. Its IUPAC name is trimethyl-[(1S,4S)-2,2,3,3-tetrafluoro-1,4-diphenyl-4-trimethylsilyloxycyclobutyl]oxysilane.

Molecular Properties

Compound Nametrimethyl-[(1S,4S)-2,2,3,3-tetrafluoro-1,4-diphenyl-4-trimethylsilyloxycyclobutyl]oxysilane
PubChem CID15472627
Molecular FormulaC22H28F4O2Si2
Molecular Weight456.63 g/mol
Exact Mass456.16
IUPAC Nametrimethyl-[(1S,4S)-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-/m0/s1
InChIKeyGNPIHALXCLIOMB-PMACEKPBSA-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,4S)-2,2,3,3-tetrafluoro-1,4-diphenyl-4-trimethylsilyloxycyclobutyl]oxysilane with MolForge

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Related Compounds

CID 168278822
CID 168278822
CID 168281096
CID 168281096
CID 168285849
CID 168285849
CID 168289966
CID 168289966
CID 11255795
CID 11255795
CID 53307532
CID 53307532
CID 10526738
CID 10526738
CID 12534368
CID 12534368
CID 12616921
CID 12616921
CID 16693490
CID 16693490
CID 11637497
CID 11637497
CID 12124315
CID 12124315

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(1S,4S)-2,2,3,3-tetrafluoro-1,4-diphenyl-4-trimethylsilyloxycyclobutyl]oxysilane?
The IUPAC name of trimethyl-[(1S,4S)-2,2,3,3-tetrafluoro-1,4-diphenyl-4-trimethylsilyloxycyclobutyl]oxysilane (CID 15472627) is trimethyl-[(1S,4S)-2,2,3,3-tetrafluoro-1,4-diphenyl-4-trimethylsilyloxycyclobutyl]oxysilane.
What is the SMILES notation for trimethyl-[(1S,4S)-2,2,3,3-tetrafluoro-1,4-diphenyl-4-trimethylsilyloxycyclobutyl]oxysilane?
The canonical SMILES for trimethyl-[(1S,4S)-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,4S)-2,2,3,3-tetrafluoro-1,4-diphenyl-4-trimethylsilyloxycyclobutyl]oxysilane?
The InChIKey is GNPIHALXCLIOMB-PMACEKPBSA-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-/m0/s1.
What are the key properties of trimethyl-[(1S,4S)-2,2,3,3-tetrafluoro-1,4-diphenyl-4-trimethylsilyloxycyclobutyl]oxysilane?
trimethyl-[(1S,4S)-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,4S)-2,2,3,3-tetrafluoro-1,4-diphenyl-4-trimethylsilyloxycyclobutyl]oxysilane is sourced from PubChem (CID 15472627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).