1-[tert-butyl(diphenyl)silyl]-2,2-difluoroethanone

C18H20F2OSi — CID 11472623

IUPAC1-[tert-butyl(diphenyl)silyl]-2,2-difluoroethanone
SMILESCC(C)(C)[Si](C(=O)C(F)F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H20F2OSi/c1-18(2,3)22(17(21)16(19)20,14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13,16H,1-3H3
InChIKeyRPBJNUYTXBKQNC-UHFFFAOYSA-N
MW318.44 g/mol
LogP3.42
Rot. Bonds4

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

1-[tert-butyl(diphenyl)silyl]-2,2-difluoroethanone (PubChem CID 11472623) has the molecular formula C18H20F2OSi and a molecular weight of 318.44 g/mol. Its IUPAC name is 1-[tert-butyl(diphenyl)silyl]-2,2-difluoroethanone.

Molecular Properties

Compound Name1-[tert-butyl(diphenyl)silyl]-2,2-difluoroethanone
PubChem CID11472623
Molecular FormulaC18H20F2OSi
Molecular Weight318.44 g/mol
Exact Mass318.13
IUPAC Name1-[tert-butyl(diphenyl)silyl]-2,2-difluoroethanone
SMILESCC(C)(C)[Si](C(=O)C(F)F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H20F2OSi/c1-18(2,3)22(17(21)16(19)20,14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13,16H,1-3H3
InChIKeyRPBJNUYTXBKQNC-UHFFFAOYSA-N
XLogP3.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 53.42
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-fluoroethanone
CID 86211351
[(2R,3R)-5-[tert-butyl(diphenyl)silyl]-3-hydroxy-3-methyl-4-oxohex-5-en-2-yl] acetate
CID 10928017
[(1R,2R)-3-[tert-butyl(diphenyl)silyl]-2-methyl-3-oxo-1-phenylpropyl] propanoate
CID 102433781
2-[tert-butyl(diphenyl)silyl]-N-hydroxy-N-methoxyprop-2-enamide
CID 172805254
5-[tert-butyl(diphenyl)silyl]-3-methylhexa-3,4-dien-2-ol
CID 11121676
tert-butyl-diphenyl-(1-phenylpropa-1,2-dienyl)silane
CID 11210438
2-[tert-butyl(diphenyl)silyl]oxyacetic acid
CID 11141564
[tert-butyl(diphenyl)silyl]methanediol
CID 166018796
1-[tert-butyl(diphenyl)silyl]-2-[hydroxy-(4-methoxyphenyl)methyl]prop-2-en-1-one
CID 10741300
(2R,3S)-5-[tert-butyl(diphenyl)silyl]pent-4-ene-1,2,3,5-tetrol
CID 140511957
[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-[tert-butyl(diphenyl)silyl]-3-methylhexa-3,4-dien-2-yl] acetate
CID 10052471
tert-butyl-hex-1-en-2-yl-diphenylsilane
CID 10314087

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(diphenyl)silyl]-2,2-difluoroethanone?
The IUPAC name of 1-[tert-butyl(diphenyl)silyl]-2,2-difluoroethanone (CID 11472623) is 1-[tert-butyl(diphenyl)silyl]-2,2-difluoroethanone.
What is the SMILES notation for 1-[tert-butyl(diphenyl)silyl]-2,2-difluoroethanone?
The canonical SMILES for 1-[tert-butyl(diphenyl)silyl]-2,2-difluoroethanone is CC(C)(C)[Si](C(=O)C(F)F)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[tert-butyl(diphenyl)silyl]-2,2-difluoroethanone?
The InChIKey is RPBJNUYTXBKQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2OSi/c1-18(2,3)22(17(21)16(19)20,14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13,16H,1-3H3.
What are the key properties of 1-[tert-butyl(diphenyl)silyl]-2,2-difluoroethanone?
1-[tert-butyl(diphenyl)silyl]-2,2-difluoroethanone has a molecular weight of 318.44 g/mol, XLogP of 3.42, 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]-2,2-difluoroethanone is sourced from PubChem (CID 11472623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).