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3-[2-(3,4-difluorophenyl)ethyl]-1-(furan-3-carbonyl)piperidine

ChemBase ID: 341073
Molecular Formular: C18H19F2NO2
Molecular Mass: 319.3457664
Monoisotopic Mass: 319.13838529
SMILES and InChIs

SMILES:
C(=O)(N1CC(CCc2cc(c(cc2)F)F)CCC1)c1cocc1
Canonical SMILES:
Fc1ccc(cc1F)CCC1CCCN(C1)C(=O)c1cocc1
InChI:
InChI=1S/C18H19F2NO2/c19-16-6-5-13(10-17(16)20)3-4-14-2-1-8-21(11-14)18(22)15-7-9-23-12-15/h5-7,9-10,12,14H,1-4,8,11H2
InChIKey:
PTQNTFZNGIVREW-UHFFFAOYSA-N

Cite this record

CBID:341073 http://www.chembase.cn/molecule-341073.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-[2-(3,4-difluorophenyl)ethyl]-1-(furan-3-carbonyl)piperidine
IUPAC Traditional name
3-[2-(3,4-difluorophenyl)ethyl]-1-(furan-3-carbonyl)piperidine
Synonyms
3-[2-(3,4-difluorophenyl)ethyl]-1-(3-furoyl)piperidine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 13970311 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) 3.9351678  LogD (pH = 7.4) 3.9351678 
Log P 3.9351678  Molar Refractivity 83.7866 cm3
Polarizability 31.101788 Å3 Polar Surface Area 33.45 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.66  LOG S -4.68 
Polar Surface Area 33.45 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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