[(1S,2S)-1,2-bis(4-chlorophenyl)-3,3,4,4-tetrafluoro-2-trimethylsilyloxycyclobutyl]oxy-trimethylsilane

C22H26Cl2F4O2Si2 — CID 15472629

IUPAC[(1S,2S)-1,2-bis(4-chlorophenyl)-3,3,4,4-tetrafluoro-2-trimethylsilyloxycyclobutyl]oxy-trimethylsilane
SMILESC[Si](C)(C)O[C@]1(c2ccc(Cl)cc2)C(F)(F)C(F)(F)[C@]1(O[Si](C)(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C22H26Cl2F4O2Si2/c1-31(2,3)29-19(15-7-11-17(23)12-8-15)20(30-32(4,5)6,22(27,28)21(19,25)26)16-9-13-18(24)14-10-16/h7-14H,1-6H3/t19-,20-/m0/s1
InChIKeyHQHRNKMATBEMAS-PMACEKPBSA-N
MW525.52 g/mol
LogP8.07
Rot. Bonds6

About [(1S,2S)-1,2-bis(4-chlorophenyl)-3,3,4,4-tetrafluoro-2-trimethylsilyloxycyclobutyl]oxy-trimethylsilane

[(1S,2S)-1,2-bis(4-chlorophenyl)-3,3,4,4-tetrafluoro-2-trimethylsilyloxycyclobutyl]oxy-trimethylsilane (PubChem CID 15472629) has the molecular formula C22H26Cl2F4O2Si2 and a molecular weight of 525.52 g/mol. Its IUPAC name is [(1S,2S)-1,2-bis(4-chlorophenyl)-3,3,4,4-tetrafluoro-2-trimethylsilyloxycyclobutyl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(1S,2S)-1,2-bis(4-chlorophenyl)-3,3,4,4-tetrafluoro-2-trimethylsilyloxycyclobutyl]oxy-trimethylsilane
PubChem CID15472629
Molecular FormulaC22H26Cl2F4O2Si2
Molecular Weight525.52 g/mol
Exact Mass524.08
IUPAC Name[(1S,2S)-1,2-bis(4-chlorophenyl)-3,3,4,4-tetrafluoro-2-trimethylsilyloxycyclobutyl]oxy-trimethylsilane
SMILESC[Si](C)(C)O[C@]1(c2ccc(Cl)cc2)C(F)(F)C(F)(F)[C@]1(O[Si](C)(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C22H26Cl2F4O2Si2/c1-31(2,3)29-19(15-7-11-17(23)12-8-15)20(30-32(4,5)6,22(27,28)21(19,25)26)16-9-13-18(24)14-10-16/h7-14H,1-6H3/t19-,20-/m0/s1
InChIKeyHQHRNKMATBEMAS-PMACEKPBSA-N
XLogP8.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.52
LogP ≤ 58.07
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'}

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Related Compounds

CID 15472630
CID 15472630
CID 137346207
CID 137346207
CID 137346208
CID 137346208
CID 176306473
CID 176306473
CID 91742549
CID 91742549
CID 134912316
CID 134912316
CID 139262131
CID 139262131
CID 139262132
CID 139262132
CID 15472627
CID 15472627
CID 15472628
CID 15472628
CID 16081810
CID 16081810
CID 16083368
CID 16083368

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-1,2-bis(4-chlorophenyl)-3,3,4,4-tetrafluoro-2-trimethylsilyloxycyclobutyl]oxy-trimethylsilane?
The IUPAC name of [(1S,2S)-1,2-bis(4-chlorophenyl)-3,3,4,4-tetrafluoro-2-trimethylsilyloxycyclobutyl]oxy-trimethylsilane (CID 15472629) is [(1S,2S)-1,2-bis(4-chlorophenyl)-3,3,4,4-tetrafluoro-2-trimethylsilyloxycyclobutyl]oxy-trimethylsilane.
What is the SMILES notation for [(1S,2S)-1,2-bis(4-chlorophenyl)-3,3,4,4-tetrafluoro-2-trimethylsilyloxycyclobutyl]oxy-trimethylsilane?
The canonical SMILES for [(1S,2S)-1,2-bis(4-chlorophenyl)-3,3,4,4-tetrafluoro-2-trimethylsilyloxycyclobutyl]oxy-trimethylsilane is C[Si](C)(C)O[C@]1(c2ccc(Cl)cc2)C(F)(F)C(F)(F)[C@]1(O[Si](C)(C)C)c1ccc(Cl)cc1.
What is the InChIKey of [(1S,2S)-1,2-bis(4-chlorophenyl)-3,3,4,4-tetrafluoro-2-trimethylsilyloxycyclobutyl]oxy-trimethylsilane?
The InChIKey is HQHRNKMATBEMAS-PMACEKPBSA-N. The full InChI is InChI=1S/C22H26Cl2F4O2Si2/c1-31(2,3)29-19(15-7-11-17(23)12-8-15)20(30-32(4,5)6,22(27,28)21(19,25)26)16-9-13-18(24)14-10-16/h7-14H,1-6H3/t19-,20-/m0/s1.
What are the key properties of [(1S,2S)-1,2-bis(4-chlorophenyl)-3,3,4,4-tetrafluoro-2-trimethylsilyloxycyclobutyl]oxy-trimethylsilane?
[(1S,2S)-1,2-bis(4-chlorophenyl)-3,3,4,4-tetrafluoro-2-trimethylsilyloxycyclobutyl]oxy-trimethylsilane has a molecular weight of 525.52 g/mol, XLogP of 8.07, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-1,2-bis(4-chlorophenyl)-3,3,4,4-tetrafluoro-2-trimethylsilyloxycyclobutyl]oxy-trimethylsilane is sourced from PubChem (CID 15472629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).