(3-fluorophenoxy)-dimethyl-propoxysilane

C11H17FO2Si — CID 91725871

IUPAC(3-fluorophenoxy)-dimethyl-propoxysilane
SMILESCCCO[Si](C)(C)Oc1cccc(F)c1
InChIInChI=1S/C11H17FO2Si/c1-4-8-13-15(2,3)14-11-7-5-6-10(12)9-11/h5-7,9H,4,8H2,1-3H3
InChIKeyKEJCCOHYIJOPQV-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.33
Rot. Bonds5

About (3-fluorophenoxy)-dimethyl-propoxysilane

(3-fluorophenoxy)-dimethyl-propoxysilane (PubChem CID 91725871) has the molecular formula C11H17FO2Si and a molecular weight of 228.34 g/mol. Its IUPAC name is (3-fluorophenoxy)-dimethyl-propoxysilane.

Molecular Properties

Compound Name(3-fluorophenoxy)-dimethyl-propoxysilane
PubChem CID91725871
Molecular FormulaC11H17FO2Si
Molecular Weight228.34 g/mol
Exact Mass228.10
IUPAC Name(3-fluorophenoxy)-dimethyl-propoxysilane
SMILESCCCO[Si](C)(C)Oc1cccc(F)c1
InChIInChI=1S/C11H17FO2Si/c1-4-8-13-15(2,3)14-11-7-5-6-10(12)9-11/h5-7,9H,4,8H2,1-3H3
InChIKeyKEJCCOHYIJOPQV-UHFFFAOYSA-N
XLogP3.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.33
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 (3-fluorophenoxy)-dimethyl-propoxysilane?
The IUPAC name of (3-fluorophenoxy)-dimethyl-propoxysilane (CID 91725871) is (3-fluorophenoxy)-dimethyl-propoxysilane.
What is the SMILES notation for (3-fluorophenoxy)-dimethyl-propoxysilane?
The canonical SMILES for (3-fluorophenoxy)-dimethyl-propoxysilane is CCCO[Si](C)(C)Oc1cccc(F)c1.
What is the InChIKey of (3-fluorophenoxy)-dimethyl-propoxysilane?
The InChIKey is KEJCCOHYIJOPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FO2Si/c1-4-8-13-15(2,3)14-11-7-5-6-10(12)9-11/h5-7,9H,4,8H2,1-3H3.
What are the key properties of (3-fluorophenoxy)-dimethyl-propoxysilane?
(3-fluorophenoxy)-dimethyl-propoxysilane has a molecular weight of 228.34 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenoxy)-dimethyl-propoxysilane is sourced from PubChem (CID 91725871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).