4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-1,1,1-trifluorobutan-2-one

C17H25F3O2Si — CID 159418209

IUPAC4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-1,1,1-trifluorobutan-2-one
SMILESCC(C)(C)[Si](C)(C)OCc1ccc(CCC(=O)C(F)(F)F)cc1
InChIInChI=1S/C17H25F3O2Si/c1-16(2,3)23(4,5)22-12-14-8-6-13(7-9-14)10-11-15(21)17(18,19)20/h6-9H,10-12H2,1-5H3
InChIKeyYBTUANXLAULJIE-UHFFFAOYSA-N
MW346.47 g/mol
LogP5.27
Rot. Bonds6

About 4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-1,1,1-trifluorobutan-2-one

4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-1,1,1-trifluorobutan-2-one (PubChem CID 159418209) has the molecular formula C17H25F3O2Si and a molecular weight of 346.47 g/mol. Its IUPAC name is 4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-1,1,1-trifluorobutan-2-one.

Molecular Properties

Compound Name4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-1,1,1-trifluorobutan-2-one
PubChem CID159418209
Molecular FormulaC17H25F3O2Si
Molecular Weight346.47 g/mol
Exact Mass346.16
IUPAC Name4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-1,1,1-trifluorobutan-2-one
SMILESCC(C)(C)[Si](C)(C)OCc1ccc(CCC(=O)C(F)(F)F)cc1
InChIInChI=1S/C17H25F3O2Si/c1-16(2,3)23(4,5)22-12-14-8-6-13(7-9-14)10-11-15(21)17(18,19)20/h6-9H,10-12H2,1-5H3
InChIKeyYBTUANXLAULJIE-UHFFFAOYSA-N
XLogP5.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.47
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]benzoate
CID 12018888
tert-butyl-dimethyl-[(4-methylphenyl)methoxy]silane
CID 21304531
tert-butyl-[(4-tert-butylphenyl)methoxy]-dimethylsilane
CID 101140446
tert-butyl-[[4-(4-chlorobutyl)phenyl]methoxy]-dimethylsilane
CID 24796696
4-(4-ethoxyphenyl)-1,1,1-trifluorobutan-2-one
CID 59202399
[4-(4,4,4-trifluoro-3-oxobutyl)phenyl] acetate
CID 172606367
(4-bromophenyl)methoxy-tert-butyl-dimethylsilane
CID 10859583
[4-(bromomethyl)phenyl]methoxy-tert-butyl-dimethylsilane
CID 10757711
tert-butyl-[(4-iodophenyl)methoxy]-dimethylsilane
CID 10020633
acetic acid;[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl] acetate
CID 90798603
tert-butyl-[[4-[4-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methoxy]but-2-enoxymethyl]phenyl]methoxy]-dimethylsilane
CID 68636763
tert-butyl-dimethyl-[[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methoxy]silane
CID 13063205

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-1,1,1-trifluorobutan-2-one?
The IUPAC name of 4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-1,1,1-trifluorobutan-2-one (CID 159418209) is 4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-1,1,1-trifluorobutan-2-one.
What is the SMILES notation for 4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-1,1,1-trifluorobutan-2-one?
The canonical SMILES for 4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-1,1,1-trifluorobutan-2-one is CC(C)(C)[Si](C)(C)OCc1ccc(CCC(=O)C(F)(F)F)cc1.
What is the InChIKey of 4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-1,1,1-trifluorobutan-2-one?
The InChIKey is YBTUANXLAULJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3O2Si/c1-16(2,3)23(4,5)22-12-14-8-6-13(7-9-14)10-11-15(21)17(18,19)20/h6-9H,10-12H2,1-5H3.
What are the key properties of 4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-1,1,1-trifluorobutan-2-one?
4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-1,1,1-trifluorobutan-2-one has a molecular weight of 346.47 g/mol, XLogP of 5.27, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-1,1,1-trifluorobutan-2-one is sourced from PubChem (CID 159418209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).