(2-fluorosilyloxan-2-yl) 2-methylprop-2-enoate

C9H15FO3Si — CID 173362146

IUPAC(2-fluorosilyloxan-2-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1([SiH2]F)CCCCO1
InChIInChI=1S/C9H15FO3Si/c1-7(2)8(11)13-9(14-10)5-3-4-6-12-9/h1,3-6,14H2,2H3
InChIKeyVGJCSIFBOPUKBR-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.01
Rot. Bonds3

About (2-fluorosilyloxan-2-yl) 2-methylprop-2-enoate

(2-fluorosilyloxan-2-yl) 2-methylprop-2-enoate (PubChem CID 173362146) has the molecular formula C9H15FO3Si and a molecular weight of 218.30 g/mol. Its IUPAC name is (2-fluorosilyloxan-2-yl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(2-fluorosilyloxan-2-yl) 2-methylprop-2-enoate
PubChem CID173362146
Molecular FormulaC9H15FO3Si
Molecular Weight218.30 g/mol
Exact Mass218.08
IUPAC Name(2-fluorosilyloxan-2-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1([SiH2]F)CCCCO1
InChIInChI=1S/C9H15FO3Si/c1-7(2)8(11)13-9(14-10)5-3-4-6-12-9/h1,3-6,14H2,2H3
InChIKeyVGJCSIFBOPUKBR-UHFFFAOYSA-N
XLogP1.01
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-fluorosilyloxan-2-yl) 2-methylprop-2-enoate?
The IUPAC name of (2-fluorosilyloxan-2-yl) 2-methylprop-2-enoate (CID 173362146) is (2-fluorosilyloxan-2-yl) 2-methylprop-2-enoate.
What is the SMILES notation for (2-fluorosilyloxan-2-yl) 2-methylprop-2-enoate?
The canonical SMILES for (2-fluorosilyloxan-2-yl) 2-methylprop-2-enoate is C=C(C)C(=O)OC1([SiH2]F)CCCCO1.
What is the InChIKey of (2-fluorosilyloxan-2-yl) 2-methylprop-2-enoate?
The InChIKey is VGJCSIFBOPUKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FO3Si/c1-7(2)8(11)13-9(14-10)5-3-4-6-12-9/h1,3-6,14H2,2H3.
What are the key properties of (2-fluorosilyloxan-2-yl) 2-methylprop-2-enoate?
(2-fluorosilyloxan-2-yl) 2-methylprop-2-enoate has a molecular weight of 218.30 g/mol, XLogP of 1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorosilyloxan-2-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 173362146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).