Home > Compound List > Compound details
87736-77-4 molecular structure
click picture or here to close

(Z)-N-[1-(4-{[(tert-butyldimethylsilyl)oxy]methyl}phenyl)-2,2,2-trifluoroethylidene]hydroxylamine

ChemBase ID: 179075
Molecular Formular: C15H22F3NO2Si
Molecular Mass: 333.4213896
Monoisotopic Mass: 333.13719014
SMILES and InChIs

SMILES:
c1c(ccc(c1)CO[Si](C(C)(C)C)(C)C)/C(=N/O)/C(F)(F)F
Canonical SMILES:
O/N=C(\C(F)(F)F)/c1ccc(cc1)CO[Si](C(C)(C)C)(C)C
InChI:
InChI=1S/C15H22F3NO2Si/c1-14(2,3)22(4,5)21-10-11-6-8-12(9-7-11)13(19-20)15(16,17)18/h6-9,20H,10H2,1-5H3/b19-13-
InChIKey:
MHJMEFWNQGGPOZ-UYRXBGFRSA-N

Cite this record

CBID:179075 http://www.chembase.cn/molecule-179075.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(Z)-N-[1-(4-{[(tert-butyldimethylsilyl)oxy]methyl}phenyl)-2,2,2-trifluoroethylidene]hydroxylamine
IUPAC Traditional name
(Z)-N-[1-(4-{[(tert-butyldimethylsilyl)oxy]methyl}phenyl)-2,2,2-trifluoroethylidene]hydroxylamine
Synonyms
4-(2,2,2-Trifluoroethyl-1-oxime)benzyl Alcohol tert-Butyl(dimethyl)silyl Ether
1-[4-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]phenyl]-2,2,2-trifluoro-ethanone Oxime
CAS Number
87736-77-4
PubChem SID
164234985
PubChem CID
13063199

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC T790280 external link Add to cart
PubChem 13063199 external link
Data Source Data ID Price
TRC
T790280 external link Add to cart Please log in.
Data Source Data ID
PubChem 13063199 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa -2.3160233  H Acceptors
H Donor LogD (pH = 5.5) 2.1933062 
LogD (pH = 7.4) 2.1921153  Log P 3.2829244 
Molar Refractivity 77.9567 cm3 Polarizability 31.176916 Å3
Polar Surface Area 41.82 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Dichloromethane expand Show data source
Ethyl Acetate expand Show data source
Methanol expand Show data source
Apperance
White Solid expand Show data source
Storage Condition
Refrigerator expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - T790280 external link
Intermediate in the preparation of a novel photolabeling and cross-linking reagent.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle