[3-[diethoxy(fluoro)silyl]-2-fluoro-4-methylcyclobutyl]-diethoxy-methylsilane

C14H30F2O4Si2 — CID 59245581

IUPAC[3-[diethoxy(fluoro)silyl]-2-fluoro-4-methylcyclobutyl]-diethoxy-methylsilane
SMILESCCO[Si](C)(OCC)C1C(C)C([Si](F)(OCC)OCC)C1F
InChIInChI=1S/C14H30F2O4Si2/c1-7-17-21(6,18-8-2)13-11(5)14(12(13)15)22(16,19-9-3)20-10-4/h11-14H,7-10H2,1-6H3
InChIKeyPTVVBSGKHUIYEC-UHFFFAOYSA-N
MW356.56 g/mol
LogP3.84
Rot. Bonds10

About [3-[diethoxy(fluoro)silyl]-2-fluoro-4-methylcyclobutyl]-diethoxy-methylsilane

[3-[diethoxy(fluoro)silyl]-2-fluoro-4-methylcyclobutyl]-diethoxy-methylsilane (PubChem CID 59245581) has the molecular formula C14H30F2O4Si2 and a molecular weight of 356.56 g/mol. Its IUPAC name is [3-[diethoxy(fluoro)silyl]-2-fluoro-4-methylcyclobutyl]-diethoxy-methylsilane.

Molecular Properties

Compound Name[3-[diethoxy(fluoro)silyl]-2-fluoro-4-methylcyclobutyl]-diethoxy-methylsilane
PubChem CID59245581
Molecular FormulaC14H30F2O4Si2
Molecular Weight356.56 g/mol
Exact Mass356.17
IUPAC Name[3-[diethoxy(fluoro)silyl]-2-fluoro-4-methylcyclobutyl]-diethoxy-methylsilane
SMILESCCO[Si](C)(OCC)C1C(C)C([Si](F)(OCC)OCC)C1F
InChIInChI=1S/C14H30F2O4Si2/c1-7-17-21(6,18-8-2)13-11(5)14(12(13)15)22(16,19-9-3)20-10-4/h11-14H,7-10H2,1-6H3
InChIKeyPTVVBSGKHUIYEC-UHFFFAOYSA-N
XLogP3.84
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.56
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-[diethoxy(fluoro)silyl]-2-fluoro-4-methylcyclobutyl]-diethoxy-methylsilane?
The IUPAC name of [3-[diethoxy(fluoro)silyl]-2-fluoro-4-methylcyclobutyl]-diethoxy-methylsilane (CID 59245581) is [3-[diethoxy(fluoro)silyl]-2-fluoro-4-methylcyclobutyl]-diethoxy-methylsilane.
What is the SMILES notation for [3-[diethoxy(fluoro)silyl]-2-fluoro-4-methylcyclobutyl]-diethoxy-methylsilane?
The canonical SMILES for [3-[diethoxy(fluoro)silyl]-2-fluoro-4-methylcyclobutyl]-diethoxy-methylsilane is CCO[Si](C)(OCC)C1C(C)C([Si](F)(OCC)OCC)C1F.
What is the InChIKey of [3-[diethoxy(fluoro)silyl]-2-fluoro-4-methylcyclobutyl]-diethoxy-methylsilane?
The InChIKey is PTVVBSGKHUIYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30F2O4Si2/c1-7-17-21(6,18-8-2)13-11(5)14(12(13)15)22(16,19-9-3)20-10-4/h11-14H,7-10H2,1-6H3.
What are the key properties of [3-[diethoxy(fluoro)silyl]-2-fluoro-4-methylcyclobutyl]-diethoxy-methylsilane?
[3-[diethoxy(fluoro)silyl]-2-fluoro-4-methylcyclobutyl]-diethoxy-methylsilane has a molecular weight of 356.56 g/mol, XLogP of 3.84, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[diethoxy(fluoro)silyl]-2-fluoro-4-methylcyclobutyl]-diethoxy-methylsilane is sourced from PubChem (CID 59245581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).