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3623-02-7 molecular structure
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4-(2-fluorophenoxy)piperidine

ChemBase ID: 30775
Molecular Formular: C11H14FNO
Molecular Mass: 195.2333632
Monoisotopic Mass: 195.10594229
SMILES and InChIs

SMILES:
c1(OC2CCNCC2)c(F)cccc1
Canonical SMILES:
Fc1ccccc1OC1CCNCC1
InChI:
InChI=1S/C11H14FNO/c12-10-3-1-2-4-11(10)14-9-5-7-13-8-6-9/h1-4,9,13H,5-8H2
InChIKey:
MGLFLCJKTMPKSG-UHFFFAOYSA-N

Cite this record

CBID:30775 http://www.chembase.cn/molecule-30775.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(2-fluorophenoxy)piperidine
IUPAC Traditional name
4-(2-fluorophenoxy)piperidine
Synonyms
4-(2-fluorophenoxy)piperidine
4-(2-Fluoro-phenoxy)-piperidine
CAS Number
3623-02-7
629352
MDL Number
MFCD06247707
PubChem SID
160994082
PubChem CID
16731692

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 16731692 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.605364  LogD (pH = 7.4) -0.76104414 
Log P 1.6020347  Molar Refractivity 52.894 cm3
Polarizability 20.665693 Å3 Polar Surface Area 21.26 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
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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