1-[tert-butyl(diphenyl)silyl]-2-fluoroethanone

C18H21FOSi — CID 86211351

IUPAC1-[tert-butyl(diphenyl)silyl]-2-fluoroethanone
SMILESCC(C)(C)[Si](C(=O)CF)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21FOSi/c1-18(2,3)21(17(20)14-19,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13H,14H2,1-3H3
InChIKeyICZGKNOGSINWBL-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.13
Rot. Bonds4

About 1-[tert-butyl(diphenyl)silyl]-2-fluoroethanone

1-[tert-butyl(diphenyl)silyl]-2-fluoroethanone (PubChem CID 86211351) has the molecular formula C18H21FOSi and a molecular weight of 300.45 g/mol. Its IUPAC name is 1-[tert-butyl(diphenyl)silyl]-2-fluoroethanone.

Molecular Properties

Compound Name1-[tert-butyl(diphenyl)silyl]-2-fluoroethanone
PubChem CID86211351
Molecular FormulaC18H21FOSi
Molecular Weight300.45 g/mol
Exact Mass300.13
IUPAC Name1-[tert-butyl(diphenyl)silyl]-2-fluoroethanone
SMILESCC(C)(C)[Si](C(=O)CF)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21FOSi/c1-18(2,3)21(17(20)14-19,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13H,14H2,1-3H3
InChIKeyICZGKNOGSINWBL-UHFFFAOYSA-N
XLogP3.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[tert-butyl(diphenyl)silyl]-2,2-difluoroethanone
CID 11472623
2-[tert-butyl(diphenyl)silyl]-N-hydroxy-N-methoxyprop-2-enamide
CID 172805254
tert-butyl-hex-1-en-2-yl-diphenylsilane
CID 10314087
[tert-butyl(diphenyl)silyl] butanoate
CID 91802630
2-[tert-butyl(diphenyl)silyl]oxyacetic acid
CID 11141564
tert-butyl-diphenyl-(1-phenylpropa-1,2-dienyl)silane
CID 11210438
[(1R,2R)-3-[tert-butyl(diphenyl)silyl]-2-methyl-3-oxo-1-phenylpropyl] propanoate
CID 102433781
(2R,3S)-5-[tert-butyl(diphenyl)silyl]pent-4-ene-1,2,3,5-tetrol
CID 140511957
tert-butyl-dimethyl-triphenylsilylsilane
CID 14143704
[(2R,3R)-5-[tert-butyl(diphenyl)silyl]-3-hydroxy-3-methyl-4-oxohex-5-en-2-yl] acetate
CID 10928017
[tert-butyl(diphenyl)silyl] 2,2-dimethylpropanoate
CID 22445131
2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoic acid
CID 67253789

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(diphenyl)silyl]-2-fluoroethanone?
The IUPAC name of 1-[tert-butyl(diphenyl)silyl]-2-fluoroethanone (CID 86211351) is 1-[tert-butyl(diphenyl)silyl]-2-fluoroethanone.
What is the SMILES notation for 1-[tert-butyl(diphenyl)silyl]-2-fluoroethanone?
The canonical SMILES for 1-[tert-butyl(diphenyl)silyl]-2-fluoroethanone is CC(C)(C)[Si](C(=O)CF)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[tert-butyl(diphenyl)silyl]-2-fluoroethanone?
The InChIKey is ICZGKNOGSINWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FOSi/c1-18(2,3)21(17(20)14-19,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13H,14H2,1-3H3.
What are the key properties of 1-[tert-butyl(diphenyl)silyl]-2-fluoroethanone?
1-[tert-butyl(diphenyl)silyl]-2-fluoroethanone has a molecular weight of 300.45 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(diphenyl)silyl]-2-fluoroethanone is sourced from PubChem (CID 86211351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).