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1213375-78-0 molecular structure
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(2R)-2-(2,3-difluorophenyl)piperazine

ChemBase ID: 807827
Molecular Formular: C10H12F2N2
Molecular Mass: 198.2124864
Monoisotopic Mass: 198.09685483
SMILES and InChIs

SMILES:
[C@H]1(CNCCN1)c1c(c(ccc1)F)F
Canonical SMILES:
Fc1c([C@@H]2CNCCN2)cccc1F
InChI:
InChI=1S/C10H12F2N2/c11-8-3-1-2-7(10(8)12)9-6-13-4-5-14-9/h1-3,9,13-14H,4-6H2/t9-/m0/s1
InChIKey:
HZHDLLBBPWHJHS-VIFPVBQESA-N

Cite this record

CBID:807827 http://www.chembase.cn/molecule-807827.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R)-2-(2,3-difluorophenyl)piperazine
IUPAC Traditional name
(2R)-2-(2,3-difluorophenyl)piperazine
Synonyms
(2R)-2-(2,3-DIFLUOROPHENYL)PIPERAZINE
CAS Number
1213375-78-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O25989 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O25989 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.5255433  LogD (pH = 7.4) 0.12828879 
Log P 1.3408372  Molar Refractivity 50.1644 cm3
Polarizability 19.363724 Å3 Polar Surface Area 24.06 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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