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702628-84-0 molecular structure
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3-(4-fluorophenoxy)azetidine

ChemBase ID: 46043
Molecular Formular: C9H10FNO
Molecular Mass: 167.1802032
Monoisotopic Mass: 167.07464217
SMILES and InChIs

SMILES:
N1CC(Oc2ccc(F)cc2)C1
Canonical SMILES:
Fc1ccc(cc1)OC1CNC1
InChI:
InChI=1S/C9H10FNO/c10-7-1-3-8(4-2-7)12-9-5-11-6-9/h1-4,9,11H,5-6H2
InChIKey:
ZDIPYYPSOHMOMO-UHFFFAOYSA-N

Cite this record

CBID:46043 http://www.chembase.cn/molecule-46043.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(4-fluorophenoxy)azetidine
IUPAC Traditional name
3-(4-fluorophenoxy)azetidine
Synonyms
3-(4-Fluorophenoxy)azetidine
CAS Number
702628-84-0
MDL Number
MFCD09861914
PubChem SID
162050806
PubChem CID
21428730

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 21428730 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.3721083  LogD (pH = 7.4) 0.2758849 
Log P 1.4821151  Molar Refractivity 43.1632 cm3
Polarizability 16.993801 Å3 Polar Surface Area 21.26 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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