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4-cyclopropanecarbonyl-2-[(4-fluorophenyl)methyl]morpholine

ChemBase ID: 360340
Molecular Formular: C15H18FNO2
Molecular Mass: 263.3073232
Monoisotopic Mass: 263.13215704
SMILES and InChIs

SMILES:
N1(C(=O)C2CC2)CC(OCC1)Cc1ccc(F)cc1
Canonical SMILES:
O=C(C1CC1)N1CCOC(C1)Cc1ccc(cc1)F
InChI:
InChI=1S/C15H18FNO2/c16-13-5-1-11(2-6-13)9-14-10-17(7-8-19-14)15(18)12-3-4-12/h1-2,5-6,12,14H,3-4,7-10H2
InChIKey:
RRIICJUFYBUMMX-UHFFFAOYSA-N

Cite this record

CBID:360340 http://www.chembase.cn/molecule-360340.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-cyclopropanecarbonyl-2-[(4-fluorophenyl)methyl]morpholine
IUPAC Traditional name
4-cyclopropanecarbonyl-2-[(4-fluorophenyl)methyl]morpholine
Synonyms
4-(cyclopropylcarbonyl)-2-(4-fluorobenzyl)morpholine

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 16795741 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) 2.1939626  LogD (pH = 7.4) 2.1939628 
Log P 2.1939628  Molar Refractivity 69.9872 cm3
Polarizability 27.023926 Å3 Polar Surface Area 29.54 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.77  LOG S -2.76 
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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