[(Z)-3-fluoro-2-(trimethylsilylmethyl)prop-2-enyl] acetate

C9H17FO2Si — CID 15421012

IUPAC[(Z)-3-fluoro-2-(trimethylsilylmethyl)prop-2-enyl] acetate
SMILESCC(=O)OC/C(=C/F)C[Si](C)(C)C
InChIInChI=1S/C9H17FO2Si/c1-8(11)12-6-9(5-10)7-13(2,3)4/h5H,6-7H2,1-4H3/b9-5-
InChIKeyZWZNFJMYGTXQEE-UITAMQMPSA-N
MW204.32 g/mol
LogP2.74
Rot. Bonds4

About [(Z)-3-fluoro-2-(trimethylsilylmethyl)prop-2-enyl] acetate

[(Z)-3-fluoro-2-(trimethylsilylmethyl)prop-2-enyl] acetate (PubChem CID 15421012) has the molecular formula C9H17FO2Si and a molecular weight of 204.32 g/mol. Its IUPAC name is [(Z)-3-fluoro-2-(trimethylsilylmethyl)prop-2-enyl] acetate.

Molecular Properties

Compound Name[(Z)-3-fluoro-2-(trimethylsilylmethyl)prop-2-enyl] acetate
PubChem CID15421012
Molecular FormulaC9H17FO2Si
Molecular Weight204.32 g/mol
Exact Mass204.10
IUPAC Name[(Z)-3-fluoro-2-(trimethylsilylmethyl)prop-2-enyl] acetate
SMILESCC(=O)OC/C(=C/F)C[Si](C)(C)C
InChIInChI=1S/C9H17FO2Si/c1-8(11)12-6-9(5-10)7-13(2,3)4/h5H,6-7H2,1-4H3/b9-5-
InChIKeyZWZNFJMYGTXQEE-UITAMQMPSA-N
XLogP2.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-oxopropyl 2-trimethylsilylacetate
CID 14545303
[2-(acetyloxymethyl)-3-cyanoprop-2-enyl] acetate
CID 10976425
[2-(acetyloxymethyl)-4-oxohex-2-enyl] acetate
CID 11195522
(4-acetyloxy-2,3-dioxobutyl) acetate
CID 10679601
[2-(acetyloxymethyl)-5-methyl-4-oxohex-2-enyl] acetate
CID 89130039
[(E)-3-(acetyloxymethyl)pent-2-enyl] acetate
CID 15254391
3-(trimethylsilylmethyl)but-3-enyl acetate
CID 12841797
2-oxopropyl acetate;bis(vanadium)
CID 175077929
methanol;2-oxopropyl acetate
CID 174729097
acetyloxymethylsulfanylmethoxymethylsulfanylmethyl acetate
CID 19748395
bis(2-acetyloxyacetic acid);palladium
CID 156697217
trimethylsilyl 2-trimethylsilylethaneperoxoate
CID 22179028

Frequently Asked Questions

What is the IUPAC name of [(Z)-3-fluoro-2-(trimethylsilylmethyl)prop-2-enyl] acetate?
The IUPAC name of [(Z)-3-fluoro-2-(trimethylsilylmethyl)prop-2-enyl] acetate (CID 15421012) is [(Z)-3-fluoro-2-(trimethylsilylmethyl)prop-2-enyl] acetate.
What is the SMILES notation for [(Z)-3-fluoro-2-(trimethylsilylmethyl)prop-2-enyl] acetate?
The canonical SMILES for [(Z)-3-fluoro-2-(trimethylsilylmethyl)prop-2-enyl] acetate is CC(=O)OC/C(=C/F)C[Si](C)(C)C.
What is the InChIKey of [(Z)-3-fluoro-2-(trimethylsilylmethyl)prop-2-enyl] acetate?
The InChIKey is ZWZNFJMYGTXQEE-UITAMQMPSA-N. The full InChI is InChI=1S/C9H17FO2Si/c1-8(11)12-6-9(5-10)7-13(2,3)4/h5H,6-7H2,1-4H3/b9-5-.
What are the key properties of [(Z)-3-fluoro-2-(trimethylsilylmethyl)prop-2-enyl] acetate?
[(Z)-3-fluoro-2-(trimethylsilylmethyl)prop-2-enyl] acetate has a molecular weight of 204.32 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-fluoro-2-(trimethylsilylmethyl)prop-2-enyl] acetate is sourced from PubChem (CID 15421012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).