3-[fluoro(dimethyl)silyl]propyl 2-methylprop-2-enoate

C9H17FO2Si — CID 54376427

IUPAC3-[fluoro(dimethyl)silyl]propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC[Si](C)(C)F
InChIInChI=1S/C9H17FO2Si/c1-8(2)9(11)12-6-5-7-13(3,4)10/h1,5-7H2,2-4H3
InChIKeyUWVAFNKSYJORQY-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.67
Rot. Bonds5

About 3-[fluoro(dimethyl)silyl]propyl 2-methylprop-2-enoate

3-[fluoro(dimethyl)silyl]propyl 2-methylprop-2-enoate (PubChem CID 54376427) has the molecular formula C9H17FO2Si and a molecular weight of 204.32 g/mol. Its IUPAC name is 3-[fluoro(dimethyl)silyl]propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-[fluoro(dimethyl)silyl]propyl 2-methylprop-2-enoate
PubChem CID54376427
Molecular FormulaC9H17FO2Si
Molecular Weight204.32 g/mol
Exact Mass204.10
IUPAC Name3-[fluoro(dimethyl)silyl]propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC[Si](C)(C)F
InChIInChI=1S/C9H17FO2Si/c1-8(2)9(11)12-6-5-7-13(3,4)10/h1,5-7H2,2-4H3
InChIKeyUWVAFNKSYJORQY-UHFFFAOYSA-N
XLogP2.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 3-[fluoro(dimethyl)silyl]propyl 2-methylprop-2-enoate?
The IUPAC name of 3-[fluoro(dimethyl)silyl]propyl 2-methylprop-2-enoate (CID 54376427) is 3-[fluoro(dimethyl)silyl]propyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-[fluoro(dimethyl)silyl]propyl 2-methylprop-2-enoate?
The canonical SMILES for 3-[fluoro(dimethyl)silyl]propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCC[Si](C)(C)F.
What is the InChIKey of 3-[fluoro(dimethyl)silyl]propyl 2-methylprop-2-enoate?
The InChIKey is UWVAFNKSYJORQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FO2Si/c1-8(2)9(11)12-6-5-7-13(3,4)10/h1,5-7H2,2-4H3.
What are the key properties of 3-[fluoro(dimethyl)silyl]propyl 2-methylprop-2-enoate?
3-[fluoro(dimethyl)silyl]propyl 2-methylprop-2-enoate has a molecular weight of 204.32 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[fluoro(dimethyl)silyl]propyl 2-methylprop-2-enoate is sourced from PubChem (CID 54376427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).