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4-cyclobutanecarbonyl-2-[(3-fluorophenyl)methyl]morpholine

ChemBase ID: 340366
Molecular Formular: C16H20FNO2
Molecular Mass: 277.3339032
Monoisotopic Mass: 277.14780711
SMILES and InChIs

SMILES:
N1(C(=O)C2CCC2)CC(OCC1)Cc1cc(F)ccc1
Canonical SMILES:
Fc1cccc(c1)CC1OCCN(C1)C(=O)C1CCC1
InChI:
InChI=1S/C16H20FNO2/c17-14-6-1-3-12(9-14)10-15-11-18(7-8-20-15)16(19)13-4-2-5-13/h1,3,6,9,13,15H,2,4-5,7-8,10-11H2
InChIKey:
PLDLBKULWBAVDT-UHFFFAOYSA-N

Cite this record

CBID:340366 http://www.chembase.cn/molecule-340366.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-cyclobutanecarbonyl-2-[(3-fluorophenyl)methyl]morpholine
IUPAC Traditional name
4-cyclobutanecarbonyl-2-[(3-fluorophenyl)methyl]morpholine
Synonyms
4-(cyclobutylcarbonyl)-2-(3-fluorobenzyl)morpholine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 2.6385312  LogD (pH = 7.4) 2.6385314 
Log P 2.6385317  Molar Refractivity 74.5882 cm3
Polarizability 28.858143 Å3 Polar Surface Area 29.54 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.33  LOG S -3.01 
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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