diethyl-methoxy-(3,3,4,4,4-pentafluorobutyl)silane

C9H17F5OSi — CID 59112323

IUPACdiethyl-methoxy-(3,3,4,4,4-pentafluorobutyl)silane
SMILESCC[Si](CC)(CCC(F)(F)C(F)(F)F)OC
InChIInChI=1S/C9H17F5OSi/c1-4-16(5-2,15-3)7-6-8(10,11)9(12,13)14/h4-7H2,1-3H3
InChIKeyRRKAEHFROOXVNJ-UHFFFAOYSA-N
MW264.31 g/mol
LogP4.21
Rot. Bonds6

About diethyl-methoxy-(3,3,4,4,4-pentafluorobutyl)silane

diethyl-methoxy-(3,3,4,4,4-pentafluorobutyl)silane (PubChem CID 59112323) has the molecular formula C9H17F5OSi and a molecular weight of 264.31 g/mol. Its IUPAC name is diethyl-methoxy-(3,3,4,4,4-pentafluorobutyl)silane.

Molecular Properties

Compound Namediethyl-methoxy-(3,3,4,4,4-pentafluorobutyl)silane
PubChem CID59112323
Molecular FormulaC9H17F5OSi
Molecular Weight264.31 g/mol
Exact Mass264.10
IUPAC Namediethyl-methoxy-(3,3,4,4,4-pentafluorobutyl)silane
SMILESCC[Si](CC)(CCC(F)(F)C(F)(F)F)OC
InChIInChI=1S/C9H17F5OSi/c1-4-16(5-2,15-3)7-6-8(10,11)9(12,13)14/h4-7H2,1-3H3
InChIKeyRRKAEHFROOXVNJ-UHFFFAOYSA-N
XLogP4.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 diethyl-methoxy-(3,3,4,4,4-pentafluorobutyl)silane?
The IUPAC name of diethyl-methoxy-(3,3,4,4,4-pentafluorobutyl)silane (CID 59112323) is diethyl-methoxy-(3,3,4,4,4-pentafluorobutyl)silane.
What is the SMILES notation for diethyl-methoxy-(3,3,4,4,4-pentafluorobutyl)silane?
The canonical SMILES for diethyl-methoxy-(3,3,4,4,4-pentafluorobutyl)silane is CC[Si](CC)(CCC(F)(F)C(F)(F)F)OC.
What is the InChIKey of diethyl-methoxy-(3,3,4,4,4-pentafluorobutyl)silane?
The InChIKey is RRKAEHFROOXVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F5OSi/c1-4-16(5-2,15-3)7-6-8(10,11)9(12,13)14/h4-7H2,1-3H3.
What are the key properties of diethyl-methoxy-(3,3,4,4,4-pentafluorobutyl)silane?
diethyl-methoxy-(3,3,4,4,4-pentafluorobutyl)silane has a molecular weight of 264.31 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-methoxy-(3,3,4,4,4-pentafluorobutyl)silane is sourced from PubChem (CID 59112323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).