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1-[3-(3,4-difluorophenyl)-4-(morpholin-4-yl)phenyl]ethan-1-one

ChemBase ID: 510070
Molecular Formular: C18H17F2NO2
Molecular Mass: 317.3298864
Monoisotopic Mass: 317.12273523
SMILES and InChIs

SMILES:
c1(c(N2CCOCC2)ccc(c1)C(=O)C)c1cc(c(cc1)F)F
Canonical SMILES:
CC(=O)c1ccc(c(c1)c1ccc(c(c1)F)F)N1CCOCC1
InChI:
InChI=1S/C18H17F2NO2/c1-12(22)13-3-5-18(21-6-8-23-9-7-21)15(10-13)14-2-4-16(19)17(20)11-14/h2-5,10-11H,6-9H2,1H3
InChIKey:
HJKURSYFPVCSAV-UHFFFAOYSA-N

Cite this record

CBID:510070 http://www.chembase.cn/molecule-510070.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-[3-(3,4-difluorophenyl)-4-(morpholin-4-yl)phenyl]ethan-1-one
IUPAC Traditional name
1-[3-(3,4-difluorophenyl)-4-(morpholin-4-yl)phenyl]ethanone
Synonyms
1-(3',4'-difluoro-6-morpholin-4-ylbiphenyl-3-yl)ethanone

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 40466656 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)
Acid pKa 16.504412  H Acceptors
H Donor LogD (pH = 5.5) 3.3530645 
LogD (pH = 7.4) 3.353066  Log P 3.353066 
Molar Refractivity 85.5329 cm3 Polarizability 32.784023 Å3
Polar Surface Area 29.54 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.76  LOG S -3.87 
Polar Surface Area 29.54 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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