methoxy-di(propan-2-yloxy)-(2,4,5-trifluorophenyl)silane

C13H19F3O3Si — CID 90170635

IUPACmethoxy-di(propan-2-yloxy)-(2,4,5-trifluorophenyl)silane
SMILESCO[Si](OC(C)C)(OC(C)C)c1cc(F)c(F)cc1F
InChIInChI=1S/C13H19F3O3Si/c1-8(2)18-20(17-5,19-9(3)4)13-7-11(15)10(14)6-12(13)16/h6-9H,1-5H3
InChIKeyKWYWGJIUIFXDBW-UHFFFAOYSA-N
MW308.37 g/mol
LogP2.75
Rot. Bonds6

About methoxy-di(propan-2-yloxy)-(2,4,5-trifluorophenyl)silane

methoxy-di(propan-2-yloxy)-(2,4,5-trifluorophenyl)silane (PubChem CID 90170635) has the molecular formula C13H19F3O3Si and a molecular weight of 308.37 g/mol. Its IUPAC name is methoxy-di(propan-2-yloxy)-(2,4,5-trifluorophenyl)silane.

Molecular Properties

Compound Namemethoxy-di(propan-2-yloxy)-(2,4,5-trifluorophenyl)silane
PubChem CID90170635
Molecular FormulaC13H19F3O3Si
Molecular Weight308.37 g/mol
Exact Mass308.11
IUPAC Namemethoxy-di(propan-2-yloxy)-(2,4,5-trifluorophenyl)silane
SMILESCO[Si](OC(C)C)(OC(C)C)c1cc(F)c(F)cc1F
InChIInChI=1S/C13H19F3O3Si/c1-8(2)18-20(17-5,19-9(3)4)13-7-11(15)10(14)6-12(13)16/h6-9H,1-5H3
InChIKeyKWYWGJIUIFXDBW-UHFFFAOYSA-N
XLogP2.75
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methoxy-di(propan-2-yloxy)-(2,4,5-trifluorophenyl)silane?
The IUPAC name of methoxy-di(propan-2-yloxy)-(2,4,5-trifluorophenyl)silane (CID 90170635) is methoxy-di(propan-2-yloxy)-(2,4,5-trifluorophenyl)silane.
What is the SMILES notation for methoxy-di(propan-2-yloxy)-(2,4,5-trifluorophenyl)silane?
The canonical SMILES for methoxy-di(propan-2-yloxy)-(2,4,5-trifluorophenyl)silane is CO[Si](OC(C)C)(OC(C)C)c1cc(F)c(F)cc1F.
What is the InChIKey of methoxy-di(propan-2-yloxy)-(2,4,5-trifluorophenyl)silane?
The InChIKey is KWYWGJIUIFXDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3O3Si/c1-8(2)18-20(17-5,19-9(3)4)13-7-11(15)10(14)6-12(13)16/h6-9H,1-5H3.
What are the key properties of methoxy-di(propan-2-yloxy)-(2,4,5-trifluorophenyl)silane?
methoxy-di(propan-2-yloxy)-(2,4,5-trifluorophenyl)silane has a molecular weight of 308.37 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-di(propan-2-yloxy)-(2,4,5-trifluorophenyl)silane is sourced from PubChem (CID 90170635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).