diphenyl-bis(1,1,1-trifluoropropan-2-yloxy)silane

C18H18F6O2Si — CID 91718002

IUPACdiphenyl-bis(1,1,1-trifluoropropan-2-yloxy)silane
SMILESCC(O[Si](OC(C)C(F)(F)F)(c1ccccc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C18H18F6O2Si/c1-13(17(19,20)21)25-27(15-9-5-3-6-10-15,16-11-7-4-8-12-16)26-14(2)18(22,23)24/h3-14H,1-2H3
InChIKeyXMXOIWHHNIOPCB-UHFFFAOYSA-N
MW408.41 g/mol
LogP4.18
Rot. Bonds6

About diphenyl-bis(1,1,1-trifluoropropan-2-yloxy)silane

diphenyl-bis(1,1,1-trifluoropropan-2-yloxy)silane (PubChem CID 91718002) has the molecular formula C18H18F6O2Si and a molecular weight of 408.41 g/mol. Its IUPAC name is diphenyl-bis(1,1,1-trifluoropropan-2-yloxy)silane.

Molecular Properties

Compound Namediphenyl-bis(1,1,1-trifluoropropan-2-yloxy)silane
PubChem CID91718002
Molecular FormulaC18H18F6O2Si
Molecular Weight408.41 g/mol
Exact Mass408.10
IUPAC Namediphenyl-bis(1,1,1-trifluoropropan-2-yloxy)silane
SMILESCC(O[Si](OC(C)C(F)(F)F)(c1ccccc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C18H18F6O2Si/c1-13(17(19,20)21)25-27(15-9-5-3-6-10-15,16-11-7-4-8-12-16)26-14(2)18(22,23)24/h3-14H,1-2H3
InChIKeyXMXOIWHHNIOPCB-UHFFFAOYSA-N
XLogP4.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 54.18
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 diphenyl-bis(1,1,1-trifluoropropan-2-yloxy)silane?
The IUPAC name of diphenyl-bis(1,1,1-trifluoropropan-2-yloxy)silane (CID 91718002) is diphenyl-bis(1,1,1-trifluoropropan-2-yloxy)silane.
What is the SMILES notation for diphenyl-bis(1,1,1-trifluoropropan-2-yloxy)silane?
The canonical SMILES for diphenyl-bis(1,1,1-trifluoropropan-2-yloxy)silane is CC(O[Si](OC(C)C(F)(F)F)(c1ccccc1)c1ccccc1)C(F)(F)F.
What is the InChIKey of diphenyl-bis(1,1,1-trifluoropropan-2-yloxy)silane?
The InChIKey is XMXOIWHHNIOPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F6O2Si/c1-13(17(19,20)21)25-27(15-9-5-3-6-10-15,16-11-7-4-8-12-16)26-14(2)18(22,23)24/h3-14H,1-2H3.
What are the key properties of diphenyl-bis(1,1,1-trifluoropropan-2-yloxy)silane?
diphenyl-bis(1,1,1-trifluoropropan-2-yloxy)silane has a molecular weight of 408.41 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-bis(1,1,1-trifluoropropan-2-yloxy)silane is sourced from PubChem (CID 91718002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).