diphenyl-bis(2,2,3,3-tetrafluoropropoxy)silane

C18H16F8O2Si — CID 91718485

IUPACdiphenyl-bis(2,2,3,3-tetrafluoropropoxy)silane
SMILESFC(F)C(F)(F)CO[Si](OCC(F)(F)C(F)F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H16F8O2Si/c19-15(20)17(23,24)11-27-29(13-7-3-1-4-8-13,14-9-5-2-6-10-14)28-12-18(25,26)16(21)22/h1-10,15-16H,11-12H2
InChIKeyCRKUBQRAQJZFLA-UHFFFAOYSA-N
MW444.39 g/mol
LogP4.08
Rot. Bonds10

About diphenyl-bis(2,2,3,3-tetrafluoropropoxy)silane

diphenyl-bis(2,2,3,3-tetrafluoropropoxy)silane (PubChem CID 91718485) has the molecular formula C18H16F8O2Si and a molecular weight of 444.39 g/mol. Its IUPAC name is diphenyl-bis(2,2,3,3-tetrafluoropropoxy)silane.

Molecular Properties

Compound Namediphenyl-bis(2,2,3,3-tetrafluoropropoxy)silane
PubChem CID91718485
Molecular FormulaC18H16F8O2Si
Molecular Weight444.39 g/mol
Exact Mass444.08
IUPAC Namediphenyl-bis(2,2,3,3-tetrafluoropropoxy)silane
SMILESFC(F)C(F)(F)CO[Si](OCC(F)(F)C(F)F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H16F8O2Si/c19-15(20)17(23,24)11-27-29(13-7-3-1-4-8-13,14-9-5-2-6-10-14)28-12-18(25,26)16(21)22/h1-10,15-16H,11-12H2
InChIKeyCRKUBQRAQJZFLA-UHFFFAOYSA-N
XLogP4.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.39
LogP ≤ 54.08
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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Frequently Asked Questions

What is the IUPAC name of diphenyl-bis(2,2,3,3-tetrafluoropropoxy)silane?
The IUPAC name of diphenyl-bis(2,2,3,3-tetrafluoropropoxy)silane (CID 91718485) is diphenyl-bis(2,2,3,3-tetrafluoropropoxy)silane.
What is the SMILES notation for diphenyl-bis(2,2,3,3-tetrafluoropropoxy)silane?
The canonical SMILES for diphenyl-bis(2,2,3,3-tetrafluoropropoxy)silane is FC(F)C(F)(F)CO[Si](OCC(F)(F)C(F)F)(c1ccccc1)c1ccccc1.
What is the InChIKey of diphenyl-bis(2,2,3,3-tetrafluoropropoxy)silane?
The InChIKey is CRKUBQRAQJZFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F8O2Si/c19-15(20)17(23,24)11-27-29(13-7-3-1-4-8-13,14-9-5-2-6-10-14)28-12-18(25,26)16(21)22/h1-10,15-16H,11-12H2.
What are the key properties of diphenyl-bis(2,2,3,3-tetrafluoropropoxy)silane?
diphenyl-bis(2,2,3,3-tetrafluoropropoxy)silane has a molecular weight of 444.39 g/mol, XLogP of 4.08, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-bis(2,2,3,3-tetrafluoropropoxy)silane is sourced from PubChem (CID 91718485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).