2-benzyl-5-[fluoro(dimethyl)silyl]cyclohexane-1,3-dione

C15H19FO2Si — CID 555859

IUPAC2-benzyl-5-[fluoro(dimethyl)silyl]cyclohexane-1,3-dione
SMILESC[Si](C)(F)C1CC(=O)C(Cc2ccccc2)C(=O)C1
InChIInChI=1S/C15H19FO2Si/c1-19(2,16)12-9-14(17)13(15(18)10-12)8-11-6-4-3-5-7-11/h3-7,12-13H,8-10H2,1-2H3
InChIKeyZMTLIABPEVFEFG-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.32
Rot. Bonds3

About 2-benzyl-5-[fluoro(dimethyl)silyl]cyclohexane-1,3-dione

2-benzyl-5-[fluoro(dimethyl)silyl]cyclohexane-1,3-dione (PubChem CID 555859) has the molecular formula C15H19FO2Si and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-benzyl-5-[fluoro(dimethyl)silyl]cyclohexane-1,3-dione.

Molecular Properties

Compound Name2-benzyl-5-[fluoro(dimethyl)silyl]cyclohexane-1,3-dione
PubChem CID555859
Molecular FormulaC15H19FO2Si
Molecular Weight278.40 g/mol
Exact Mass278.11
IUPAC Name2-benzyl-5-[fluoro(dimethyl)silyl]cyclohexane-1,3-dione
SMILESC[Si](C)(F)C1CC(=O)C(Cc2ccccc2)C(=O)C1
InChIInChI=1S/C15H19FO2Si/c1-19(2,16)12-9-14(17)13(15(18)10-12)8-11-6-4-3-5-7-11/h3-7,12-13H,8-10H2,1-2H3
InChIKeyZMTLIABPEVFEFG-UHFFFAOYSA-N
XLogP3.32
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Related Compounds

(5S)-5-benzylpyrrolidine-2,4-dione
CID 82404721
(4S)-4-benzyl-3-methyl-1,4-dihydropyrazol-5-one
CID 697315
cis-(2S,3S)-2-benzyl-3-ethylcyclohexan-1-one
CID 10443310
5-benzyl-3-trimethylsilylpyrrolidin-2-one
CID 3024936
lithium (4S)-4-benzyl-1,3-oxazolidin-2-one
CID 21353540
(5R)-4-benzyl-5-methylpyrrolidin-2-one
CID 154981425
(5R)-5-benzylpyrrolidin-2-one
CID 740530
cyclopropylmethylbenzene;ethane;methane
CID 142248267
2-(4-benzylpiperidin-1-yl)cyclopentan-1-one
CID 43794813
(1R,4aR,7aR)-1-benzyl-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyran-3-one
CID 11276286
(3S,3aR,7aR)-3-benzyl-2-methyl-3,3a,5,6,7,7a-hexahydro-1,2-benzoxazol-4-one
CID 119058013
(2R,3R)-2-benzyl-5-oxooxolane-3-carboxylic acid
CID 101421774

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-[fluoro(dimethyl)silyl]cyclohexane-1,3-dione?
The IUPAC name of 2-benzyl-5-[fluoro(dimethyl)silyl]cyclohexane-1,3-dione (CID 555859) is 2-benzyl-5-[fluoro(dimethyl)silyl]cyclohexane-1,3-dione.
What is the SMILES notation for 2-benzyl-5-[fluoro(dimethyl)silyl]cyclohexane-1,3-dione?
The canonical SMILES for 2-benzyl-5-[fluoro(dimethyl)silyl]cyclohexane-1,3-dione is C[Si](C)(F)C1CC(=O)C(Cc2ccccc2)C(=O)C1.
What is the InChIKey of 2-benzyl-5-[fluoro(dimethyl)silyl]cyclohexane-1,3-dione?
The InChIKey is ZMTLIABPEVFEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO2Si/c1-19(2,16)12-9-14(17)13(15(18)10-12)8-11-6-4-3-5-7-11/h3-7,12-13H,8-10H2,1-2H3.
What are the key properties of 2-benzyl-5-[fluoro(dimethyl)silyl]cyclohexane-1,3-dione?
2-benzyl-5-[fluoro(dimethyl)silyl]cyclohexane-1,3-dione has a molecular weight of 278.40 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-[fluoro(dimethyl)silyl]cyclohexane-1,3-dione is sourced from PubChem (CID 555859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).