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4-[2-(2-ethoxyethoxy)benzoyl]-2-(trifluoromethyl)morpholine

ChemBase ID: 865740
Molecular Formular: C16H20F3NO4
Molecular Mass: 347.3295096
Monoisotopic Mass: 347.13444279
SMILES and InChIs

SMILES:
C(=O)(N1CC(C(F)(F)F)OCC1)c1c(OCCOCC)cccc1
Canonical SMILES:
CCOCCOc1ccccc1C(=O)N1CCOC(C1)C(F)(F)F
InChI:
InChI=1S/C16H20F3NO4/c1-2-22-9-10-23-13-6-4-3-5-12(13)15(21)20-7-8-24-14(11-20)16(17,18)19/h3-6,14H,2,7-11H2,1H3
InChIKey:
XSTMMRYTGDMCIS-UHFFFAOYSA-N

Cite this record

CBID:865740 http://www.chembase.cn/molecule-865740.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-[2-(2-ethoxyethoxy)benzoyl]-2-(trifluoromethyl)morpholine
IUPAC Traditional name
4-[2-(2-ethoxyethoxy)benzoyl]-2-(trifluoromethyl)morpholine
Synonyms
4-[2-(2-ethoxyethoxy)benzoyl]-2-(trifluoromethyl)morpholine

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 66729439 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 2.2197623  LogD (pH = 7.4) 2.2197623 
Log P 2.2197623  Molar Refractivity 81.3799 cm3
Polarizability 30.495928 Å3 Polar Surface Area 48.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.47  LOG S -2.99 
Polar Surface Area 48.0 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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