trimethyl-[1,1,1-trifluoro-2-[4-[4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)phenyl]phenyl]propan-2-yl]oxysilane

C24H32F6O2Si2 — CID 10577945

IUPACtrimethyl-[1,1,1-trifluoro-2-[4-[4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)phenyl]phenyl]propan-2-yl]oxysilane
SMILESCC(O[Si](C)(C)C)(c1ccc(-c2ccc(C(C)(O[Si](C)(C)C)C(F)(F)F)cc2)cc1)C(F)(F)F
InChIInChI=1S/C24H32F6O2Si2/c1-21(23(25,26)27,31-33(3,4)5)19-13-9-17(10-14-19)18-11-15-20(16-12-18)22(2,24(28,29)30)32-34(6,7)8/h9-16H,1-8H3
InChIKeyLJLKVPDMMJXTSP-UHFFFAOYSA-N
MW522.68 g/mol
LogP8.61
Rot. Bonds7

About trimethyl-[1,1,1-trifluoro-2-[4-[4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)phenyl]phenyl]propan-2-yl]oxysilane

trimethyl-[1,1,1-trifluoro-2-[4-[4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)phenyl]phenyl]propan-2-yl]oxysilane (PubChem CID 10577945) has the molecular formula C24H32F6O2Si2 and a molecular weight of 522.68 g/mol. Its IUPAC name is trimethyl-[1,1,1-trifluoro-2-[4-[4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)phenyl]phenyl]propan-2-yl]oxysilane.

Molecular Properties

Compound Nametrimethyl-[1,1,1-trifluoro-2-[4-[4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)phenyl]phenyl]propan-2-yl]oxysilane
PubChem CID10577945
Molecular FormulaC24H32F6O2Si2
Molecular Weight522.68 g/mol
Exact Mass522.18
IUPAC Nametrimethyl-[1,1,1-trifluoro-2-[4-[4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)phenyl]phenyl]propan-2-yl]oxysilane
SMILESCC(O[Si](C)(C)C)(c1ccc(-c2ccc(C(C)(O[Si](C)(C)C)C(F)(F)F)cc2)cc1)C(F)(F)F
InChIInChI=1S/C24H32F6O2Si2/c1-21(23(25,26)27,31-33(3,4)5)19-13-9-17(10-14-19)18-11-15-20(16-12-18)22(2,24(28,29)30)32-34(6,7)8/h9-16H,1-8H3
InChIKeyLJLKVPDMMJXTSP-UHFFFAOYSA-N
XLogP8.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.68
LogP ≤ 58.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[1,1,1-trifluoro-2-[4-[4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)phenyl]phenyl]propan-2-yl]oxysilane?
The IUPAC name of trimethyl-[1,1,1-trifluoro-2-[4-[4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)phenyl]phenyl]propan-2-yl]oxysilane (CID 10577945) is trimethyl-[1,1,1-trifluoro-2-[4-[4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)phenyl]phenyl]propan-2-yl]oxysilane.
What is the SMILES notation for trimethyl-[1,1,1-trifluoro-2-[4-[4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)phenyl]phenyl]propan-2-yl]oxysilane?
The canonical SMILES for trimethyl-[1,1,1-trifluoro-2-[4-[4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)phenyl]phenyl]propan-2-yl]oxysilane is CC(O[Si](C)(C)C)(c1ccc(-c2ccc(C(C)(O[Si](C)(C)C)C(F)(F)F)cc2)cc1)C(F)(F)F.
What is the InChIKey of trimethyl-[1,1,1-trifluoro-2-[4-[4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)phenyl]phenyl]propan-2-yl]oxysilane?
The InChIKey is LJLKVPDMMJXTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32F6O2Si2/c1-21(23(25,26)27,31-33(3,4)5)19-13-9-17(10-14-19)18-11-15-20(16-12-18)22(2,24(28,29)30)32-34(6,7)8/h9-16H,1-8H3.
What are the key properties of trimethyl-[1,1,1-trifluoro-2-[4-[4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)phenyl]phenyl]propan-2-yl]oxysilane?
trimethyl-[1,1,1-trifluoro-2-[4-[4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)phenyl]phenyl]propan-2-yl]oxysilane has a molecular weight of 522.68 g/mol, XLogP of 8.61, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[1,1,1-trifluoro-2-[4-[4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)phenyl]phenyl]propan-2-yl]oxysilane is sourced from PubChem (CID 10577945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).