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

C9H17FO2Si — CID 141187154

IUPAC3-[fluoro(dimethyl)silyl]propyl but-2-enoate
SMILESCC=CC(=O)OCCC[Si](C)(C)F
InChIInChI=1S/C9H17FO2Si/c1-4-6-9(11)12-7-5-8-13(2,3)10/h4,6H,5,7-8H2,1-3H3
InChIKeyAWEGDICQOAVBAK-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.67
Rot. Bonds5

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

3-[fluoro(dimethyl)silyl]propyl but-2-enoate (PubChem CID 141187154) has the molecular formula C9H17FO2Si and a molecular weight of 204.32 g/mol. Its IUPAC name is 3-[fluoro(dimethyl)silyl]propyl but-2-enoate.

Molecular Properties

Compound Name3-[fluoro(dimethyl)silyl]propyl but-2-enoate
PubChem CID141187154
Molecular FormulaC9H17FO2Si
Molecular Weight204.32 g/mol
Exact Mass204.10
IUPAC Name3-[fluoro(dimethyl)silyl]propyl but-2-enoate
SMILESCC=CC(=O)OCCC[Si](C)(C)F
InChIInChI=1S/C9H17FO2Si/c1-4-6-9(11)12-7-5-8-13(2,3)10/h4,6H,5,7-8H2,1-3H3
InChIKeyAWEGDICQOAVBAK-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'}

Analyze 3-[fluoro(dimethyl)silyl]propyl but-2-enoate 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 3-[fluoro(dimethyl)silyl]propyl but-2-enoate?
The IUPAC name of 3-[fluoro(dimethyl)silyl]propyl but-2-enoate (CID 141187154) is 3-[fluoro(dimethyl)silyl]propyl but-2-enoate.
What is the SMILES notation for 3-[fluoro(dimethyl)silyl]propyl but-2-enoate?
The canonical SMILES for 3-[fluoro(dimethyl)silyl]propyl but-2-enoate is CC=CC(=O)OCCC[Si](C)(C)F.
What is the InChIKey of 3-[fluoro(dimethyl)silyl]propyl but-2-enoate?
The InChIKey is AWEGDICQOAVBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FO2Si/c1-4-6-9(11)12-7-5-8-13(2,3)10/h4,6H,5,7-8H2,1-3H3.
What are the key properties of 3-[fluoro(dimethyl)silyl]propyl but-2-enoate?
3-[fluoro(dimethyl)silyl]propyl but-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 but-2-enoate is sourced from PubChem (CID 141187154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).