2,2-difluoro-3-hydroxy-3-(2-methylphenyl)-1-triphenylsilylpropan-1-one

C28H24F2O2Si — CID 102374589

IUPAC2,2-difluoro-3-hydroxy-3-(2-methylphenyl)-1-triphenylsilylpropan-1-one
SMILESCc1ccccc1C(O)C(F)(F)C(=O)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H24F2O2Si/c1-21-13-11-12-20-25(21)26(31)28(29,30)27(32)33(22-14-5-2-6-15-22,23-16-7-3-8-17-23)24-18-9-4-10-19-24/h2-20,26,31H,1H3
InChIKeyPDVLPRUIJAHKGM-UHFFFAOYSA-N
MW458.58 g/mol
LogP3.94
Rot. Bonds7

About 2,2-difluoro-3-hydroxy-3-(2-methylphenyl)-1-triphenylsilylpropan-1-one

2,2-difluoro-3-hydroxy-3-(2-methylphenyl)-1-triphenylsilylpropan-1-one (PubChem CID 102374589) has the molecular formula C28H24F2O2Si and a molecular weight of 458.58 g/mol. Its IUPAC name is 2,2-difluoro-3-hydroxy-3-(2-methylphenyl)-1-triphenylsilylpropan-1-one.

Molecular Properties

Compound Name2,2-difluoro-3-hydroxy-3-(2-methylphenyl)-1-triphenylsilylpropan-1-one
PubChem CID102374589
Molecular FormulaC28H24F2O2Si
Molecular Weight458.58 g/mol
Exact Mass458.15
IUPAC Name2,2-difluoro-3-hydroxy-3-(2-methylphenyl)-1-triphenylsilylpropan-1-one
SMILESCc1ccccc1C(O)C(F)(F)C(=O)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H24F2O2Si/c1-21-13-11-12-20-25(21)26(31)28(29,30)27(32)33(22-14-5-2-6-15-22,23-16-7-3-8-17-23)24-18-9-4-10-19-24/h2-20,26,31H,1H3
InChIKeyPDVLPRUIJAHKGM-UHFFFAOYSA-N
XLogP3.94
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.58
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,3,3-pentafluoro-1-triphenylsilylpropan-1-one
CID 71343647
[tert-butyl(diphenyl)silyl]-(2-methylphenyl)methanol
CID 164686352
acetic acid;(2-methylphenyl)methanediol
CID 71361235
2-methyl-2-[2-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]propanoic acid
CID 84738339
3,3,3-trifluoro-2-(2-methylphenyl)propanal
CID 84776669
2-(2,6-dimethylphenyl)-2,2-difluoroacetic acid
CID 91654271
3-(2,3-dimethylphenyl)-3-hydroxy-2,2-dimethylpropanoic acid
CID 62397670
2-ethyl-1-(2-methylphenyl)-2-phenylbutan-1-ol
CID 63414226
3-(2,3-difluorophenyl)-2,2-difluoro-3-hydroxypropanoic acid
CID 63667269
2-chloro-2-(2-methylphenyl)acetic acid
CID 23338325
2-[hydroxy-(2-methylphenyl)methyl]-3-methylbutanoic acid
CID 62396840
(2S,3R)-3-amino-2-hydroxy-3-(2-methylphenyl)propanoic acid
CID 124510338

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-hydroxy-3-(2-methylphenyl)-1-triphenylsilylpropan-1-one?
The IUPAC name of 2,2-difluoro-3-hydroxy-3-(2-methylphenyl)-1-triphenylsilylpropan-1-one (CID 102374589) is 2,2-difluoro-3-hydroxy-3-(2-methylphenyl)-1-triphenylsilylpropan-1-one.
What is the SMILES notation for 2,2-difluoro-3-hydroxy-3-(2-methylphenyl)-1-triphenylsilylpropan-1-one?
The canonical SMILES for 2,2-difluoro-3-hydroxy-3-(2-methylphenyl)-1-triphenylsilylpropan-1-one is Cc1ccccc1C(O)C(F)(F)C(=O)[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2-difluoro-3-hydroxy-3-(2-methylphenyl)-1-triphenylsilylpropan-1-one?
The InChIKey is PDVLPRUIJAHKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F2O2Si/c1-21-13-11-12-20-25(21)26(31)28(29,30)27(32)33(22-14-5-2-6-15-22,23-16-7-3-8-17-23)24-18-9-4-10-19-24/h2-20,26,31H,1H3.
What are the key properties of 2,2-difluoro-3-hydroxy-3-(2-methylphenyl)-1-triphenylsilylpropan-1-one?
2,2-difluoro-3-hydroxy-3-(2-methylphenyl)-1-triphenylsilylpropan-1-one has a molecular weight of 458.58 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-hydroxy-3-(2-methylphenyl)-1-triphenylsilylpropan-1-one is sourced from PubChem (CID 102374589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).