ethyl 2-[fluoro(dimethyl)silyl]prop-2-enoate

C7H13FO2Si — CID 19876462

IUPACethyl 2-[fluoro(dimethyl)silyl]prop-2-enoate
SMILESC=C(C(=O)OCC)[Si](C)(C)F
InChIInChI=1S/C7H13FO2Si/c1-5-10-7(9)6(2)11(3,4)8/h2,5H2,1,3-4H3
InChIKeyXJDHIYBJRRSSCM-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.82
Rot. Bonds3

About ethyl 2-[fluoro(dimethyl)silyl]prop-2-enoate

ethyl 2-[fluoro(dimethyl)silyl]prop-2-enoate (PubChem CID 19876462) has the molecular formula C7H13FO2Si and a molecular weight of 176.26 g/mol. Its IUPAC name is ethyl 2-[fluoro(dimethyl)silyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-[fluoro(dimethyl)silyl]prop-2-enoate
PubChem CID19876462
Molecular FormulaC7H13FO2Si
Molecular Weight176.26 g/mol
Exact Mass176.07
IUPAC Nameethyl 2-[fluoro(dimethyl)silyl]prop-2-enoate
SMILESC=C(C(=O)OCC)[Si](C)(C)F
InChIInChI=1S/C7H13FO2Si/c1-5-10-7(9)6(2)11(3,4)8/h2,5H2,1,3-4H3
InChIKeyXJDHIYBJRRSSCM-UHFFFAOYSA-N
XLogP1.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Related Compounds

diethyl 2-methylidenepropanedioate;mercury
CID 174815236
ethyl 2-(hydrazinecarbonyl)prop-2-enoate
CID 87480651
CID 175995571
CID 175995571
ethyl 2-methylprop-2-enoate
CID 130475774
sodium ethyl 2-methylprop-2-enoate
CID 23346885
ethane;bis(ethyl 2-methylprop-2-enoate)
CID 146295289
ethyl 2-methylprop-2-enoate;phosphane
CID 159151613
ethyl 2-methylprop-2-enoate;methane
CID 159235789
CID 159370772
CID 159370772
ethyl 2-methanidylprop-2-enoate;tungsten
CID 59905114
sodium;ethyl 2-methylprop-2-enoate;hydride
CID 173442862
sodium 3-ethoxy-3-oxoprop-1-en-2-olate
CID 87313714

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[fluoro(dimethyl)silyl]prop-2-enoate?
The IUPAC name of ethyl 2-[fluoro(dimethyl)silyl]prop-2-enoate (CID 19876462) is ethyl 2-[fluoro(dimethyl)silyl]prop-2-enoate.
What is the SMILES notation for ethyl 2-[fluoro(dimethyl)silyl]prop-2-enoate?
The canonical SMILES for ethyl 2-[fluoro(dimethyl)silyl]prop-2-enoate is C=C(C(=O)OCC)[Si](C)(C)F.
What is the InChIKey of ethyl 2-[fluoro(dimethyl)silyl]prop-2-enoate?
The InChIKey is XJDHIYBJRRSSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FO2Si/c1-5-10-7(9)6(2)11(3,4)8/h2,5H2,1,3-4H3.
What are the key properties of ethyl 2-[fluoro(dimethyl)silyl]prop-2-enoate?
ethyl 2-[fluoro(dimethyl)silyl]prop-2-enoate has a molecular weight of 176.26 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[fluoro(dimethyl)silyl]prop-2-enoate is sourced from PubChem (CID 19876462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).