(E)-3-fluoro-4-(2-methylphenyl)-4-trimethylsilyloxybut-3-en-2-one

C14H19FO2Si — CID 24787070

IUPAC(E)-3-fluoro-4-(2-methylphenyl)-4-trimethylsilyloxybut-3-en-2-one
SMILESCC(=O)/C(F)=C(\O[Si](C)(C)C)c1ccccc1C
InChIInChI=1S/C14H19FO2Si/c1-10-8-6-7-9-12(10)14(13(15)11(2)16)17-18(3,4)5/h6-9H,1-5H3/b14-13+
InChIKeyJGLJQCUKAMBTJF-BUHFOSPRSA-N
MW266.39 g/mol
LogP4.07
Rot. Bonds4

About (E)-3-fluoro-4-(2-methylphenyl)-4-trimethylsilyloxybut-3-en-2-one

(E)-3-fluoro-4-(2-methylphenyl)-4-trimethylsilyloxybut-3-en-2-one (PubChem CID 24787070) has the molecular formula C14H19FO2Si and a molecular weight of 266.39 g/mol. Its IUPAC name is (E)-3-fluoro-4-(2-methylphenyl)-4-trimethylsilyloxybut-3-en-2-one.

Molecular Properties

Compound Name(E)-3-fluoro-4-(2-methylphenyl)-4-trimethylsilyloxybut-3-en-2-one
PubChem CID24787070
Molecular FormulaC14H19FO2Si
Molecular Weight266.39 g/mol
Exact Mass266.11
IUPAC Name(E)-3-fluoro-4-(2-methylphenyl)-4-trimethylsilyloxybut-3-en-2-one
SMILESCC(=O)/C(F)=C(\O[Si](C)(C)C)c1ccccc1C
InChIInChI=1S/C14H19FO2Si/c1-10-8-6-7-9-12(10)14(13(15)11(2)16)17-18(3,4)5/h6-9H,1-5H3/b14-13+
InChIKeyJGLJQCUKAMBTJF-BUHFOSPRSA-N
XLogP4.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

trimethylsilyl 2-methylbenzoate
CID 577266
trimethylsilyl 2,3-dimethylbenzoate
CID 91714654
ethane;methoxymethane;1-(2-methylphenyl)ethanone
CID 90975384
ethane;1-(2-methylphenyl)ethanone
CID 91374073
bromo 2-methylbenzoate
CID 67185739
(2E)-2-[methoxy-(2-methylphenyl)methylidene]-3-oxobutanenitrile
CID 155462415
[(Z)-1-(2-methylphenyl)ethylideneamino] acetate
CID 118122967
trimethylsilyl 2-trimethylsilylperoxybenzoate
CID 87186801
carbanide;1-(2-methylphenyl)ethanone;tris(yttrium)
CID 160605653
acetic acid;(2-methylphenyl)-phosphanylmethanone;palladium
CID 88653757
[(E)-2-benzoyloxy-1,2-bis(2-methylphenyl)ethenyl] benzoate
CID 134263023
trimethylsilyl 4-[(2-methylbenzoyl)amino]butanoate
CID 10780080

Frequently Asked Questions

What is the IUPAC name of (E)-3-fluoro-4-(2-methylphenyl)-4-trimethylsilyloxybut-3-en-2-one?
The IUPAC name of (E)-3-fluoro-4-(2-methylphenyl)-4-trimethylsilyloxybut-3-en-2-one (CID 24787070) is (E)-3-fluoro-4-(2-methylphenyl)-4-trimethylsilyloxybut-3-en-2-one.
What is the SMILES notation for (E)-3-fluoro-4-(2-methylphenyl)-4-trimethylsilyloxybut-3-en-2-one?
The canonical SMILES for (E)-3-fluoro-4-(2-methylphenyl)-4-trimethylsilyloxybut-3-en-2-one is CC(=O)/C(F)=C(\O[Si](C)(C)C)c1ccccc1C.
What is the InChIKey of (E)-3-fluoro-4-(2-methylphenyl)-4-trimethylsilyloxybut-3-en-2-one?
The InChIKey is JGLJQCUKAMBTJF-BUHFOSPRSA-N. The full InChI is InChI=1S/C14H19FO2Si/c1-10-8-6-7-9-12(10)14(13(15)11(2)16)17-18(3,4)5/h6-9H,1-5H3/b14-13+.
What are the key properties of (E)-3-fluoro-4-(2-methylphenyl)-4-trimethylsilyloxybut-3-en-2-one?
(E)-3-fluoro-4-(2-methylphenyl)-4-trimethylsilyloxybut-3-en-2-one has a molecular weight of 266.39 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-fluoro-4-(2-methylphenyl)-4-trimethylsilyloxybut-3-en-2-one is sourced from PubChem (CID 24787070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).