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1-(2,2-difluoroethyl)-4-[(2E)-3-phenylprop-2-en-1-yl]piperazine

ChemBase ID: 510226
Molecular Formular: C15H20F2N2
Molecular Mass: 266.3295064
Monoisotopic Mass: 266.15945509
SMILES and InChIs

SMILES:
N1(CC(F)F)CCN(CC1)C/C=C/c1ccccc1
Canonical SMILES:
FC(CN1CCN(CC1)C/C=C/c1ccccc1)F
InChI:
InChI=1S/C15H20F2N2/c16-15(17)13-19-11-9-18(10-12-19)8-4-7-14-5-2-1-3-6-14/h1-7,15H,8-13H2/b7-4+
InChIKey:
XCBPISJCNRQPAY-QPJJXVBHSA-N

Cite this record

CBID:510226 http://www.chembase.cn/molecule-510226.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(2,2-difluoroethyl)-4-[(2E)-3-phenylprop-2-en-1-yl]piperazine
IUPAC Traditional name
1-(2,2-difluoroethyl)-4-[(2E)-3-phenylprop-2-en-1-yl]piperazine
Synonyms
1-(2,2-difluoroethyl)-4-[(2E)-3-phenyl-2-propen-1-yl]piperazine

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 40493440 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) 1.2752955  LogD (pH = 7.4) 2.675936 
Log P 2.8380136  Molar Refractivity 75.5298 cm3
Polarizability 28.427988 Å3 Polar Surface Area 6.48 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.19  LOG S -1.79 
Polar Surface Area 6.48 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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