propan-2-yl 3-[fluoro(dimethyl)silyl]-2-methylpropanoate

C9H19FO2Si — CID 174136342

IUPACpropan-2-yl 3-[fluoro(dimethyl)silyl]-2-methylpropanoate
SMILESCC(C)OC(=O)C(C)C[Si](C)(C)F
InChIInChI=1S/C9H19FO2Si/c1-7(2)12-9(11)8(3)6-13(4,5)10/h7-8H,6H2,1-5H3
InChIKeyBZHCJQNCVRAOIN-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.75
Rot. Bonds4

About propan-2-yl 3-[fluoro(dimethyl)silyl]-2-methylpropanoate

propan-2-yl 3-[fluoro(dimethyl)silyl]-2-methylpropanoate (PubChem CID 174136342) has the molecular formula C9H19FO2Si and a molecular weight of 206.33 g/mol. Its IUPAC name is propan-2-yl 3-[fluoro(dimethyl)silyl]-2-methylpropanoate.

Molecular Properties

Compound Namepropan-2-yl 3-[fluoro(dimethyl)silyl]-2-methylpropanoate
PubChem CID174136342
Molecular FormulaC9H19FO2Si
Molecular Weight206.33 g/mol
Exact Mass206.11
IUPAC Namepropan-2-yl 3-[fluoro(dimethyl)silyl]-2-methylpropanoate
SMILESCC(C)OC(=O)C(C)C[Si](C)(C)F
InChIInChI=1S/C9H19FO2Si/c1-7(2)12-9(11)8(3)6-13(4,5)10/h7-8H,6H2,1-5H3
InChIKeyBZHCJQNCVRAOIN-UHFFFAOYSA-N
XLogP2.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze propan-2-yl 3-[fluoro(dimethyl)silyl]-2-methylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-[fluoro(dimethyl)silyl]-2-methylpropanoate?
The IUPAC name of propan-2-yl 3-[fluoro(dimethyl)silyl]-2-methylpropanoate (CID 174136342) is propan-2-yl 3-[fluoro(dimethyl)silyl]-2-methylpropanoate.
What is the SMILES notation for propan-2-yl 3-[fluoro(dimethyl)silyl]-2-methylpropanoate?
The canonical SMILES for propan-2-yl 3-[fluoro(dimethyl)silyl]-2-methylpropanoate is CC(C)OC(=O)C(C)C[Si](C)(C)F.
What is the InChIKey of propan-2-yl 3-[fluoro(dimethyl)silyl]-2-methylpropanoate?
The InChIKey is BZHCJQNCVRAOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19FO2Si/c1-7(2)12-9(11)8(3)6-13(4,5)10/h7-8H,6H2,1-5H3.
What are the key properties of propan-2-yl 3-[fluoro(dimethyl)silyl]-2-methylpropanoate?
propan-2-yl 3-[fluoro(dimethyl)silyl]-2-methylpropanoate has a molecular weight of 206.33 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-[fluoro(dimethyl)silyl]-2-methylpropanoate is sourced from PubChem (CID 174136342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).