methoxy-(2,3,4,5,6-pentafluorophenyl)-di(propan-2-yloxy)silane

C13H17F5O3Si — CID 90174132

IUPACmethoxy-(2,3,4,5,6-pentafluorophenyl)-di(propan-2-yloxy)silane
SMILESCO[Si](OC(C)C)(OC(C)C)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C13H17F5O3Si/c1-6(2)20-22(19-5,21-7(3)4)13-11(17)9(15)8(14)10(16)12(13)18/h6-7H,1-5H3
InChIKeyUCIOOPVAMQUMRS-UHFFFAOYSA-N
MW344.35 g/mol
LogP3.02
Rot. Bonds6

About methoxy-(2,3,4,5,6-pentafluorophenyl)-di(propan-2-yloxy)silane

methoxy-(2,3,4,5,6-pentafluorophenyl)-di(propan-2-yloxy)silane (PubChem CID 90174132) has the molecular formula C13H17F5O3Si and a molecular weight of 344.35 g/mol. Its IUPAC name is methoxy-(2,3,4,5,6-pentafluorophenyl)-di(propan-2-yloxy)silane.

Molecular Properties

Compound Namemethoxy-(2,3,4,5,6-pentafluorophenyl)-di(propan-2-yloxy)silane
PubChem CID90174132
Molecular FormulaC13H17F5O3Si
Molecular Weight344.35 g/mol
Exact Mass344.09
IUPAC Namemethoxy-(2,3,4,5,6-pentafluorophenyl)-di(propan-2-yloxy)silane
SMILESCO[Si](OC(C)C)(OC(C)C)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C13H17F5O3Si/c1-6(2)20-22(19-5,21-7(3)4)13-11(17)9(15)8(14)10(16)12(13)18/h6-7H,1-5H3
InChIKeyUCIOOPVAMQUMRS-UHFFFAOYSA-N
XLogP3.02
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methoxy-(2,3,4,5,6-pentafluorophenyl)-di(propan-2-yloxy)silane?
The IUPAC name of methoxy-(2,3,4,5,6-pentafluorophenyl)-di(propan-2-yloxy)silane (CID 90174132) is methoxy-(2,3,4,5,6-pentafluorophenyl)-di(propan-2-yloxy)silane.
What is the SMILES notation for methoxy-(2,3,4,5,6-pentafluorophenyl)-di(propan-2-yloxy)silane?
The canonical SMILES for methoxy-(2,3,4,5,6-pentafluorophenyl)-di(propan-2-yloxy)silane is CO[Si](OC(C)C)(OC(C)C)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of methoxy-(2,3,4,5,6-pentafluorophenyl)-di(propan-2-yloxy)silane?
The InChIKey is UCIOOPVAMQUMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F5O3Si/c1-6(2)20-22(19-5,21-7(3)4)13-11(17)9(15)8(14)10(16)12(13)18/h6-7H,1-5H3.
What are the key properties of methoxy-(2,3,4,5,6-pentafluorophenyl)-di(propan-2-yloxy)silane?
methoxy-(2,3,4,5,6-pentafluorophenyl)-di(propan-2-yloxy)silane has a molecular weight of 344.35 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-(2,3,4,5,6-pentafluorophenyl)-di(propan-2-yloxy)silane is sourced from PubChem (CID 90174132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).