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1036762-57-8 molecular structure
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1-(3-fluorophenoxy)propan-2-one

ChemBase ID: 810708
Molecular Formular: C9H9FO2
Molecular Mass: 168.1649632
Monoisotopic Mass: 168.05865775
SMILES and InChIs

SMILES:
C(C(=O)C)Oc1cc(ccc1)F
Canonical SMILES:
CC(=O)COc1cccc(c1)F
InChI:
InChI=1S/C9H9FO2/c1-7(11)6-12-9-4-2-3-8(10)5-9/h2-5H,6H2,1H3
InChIKey:
DKRYKBLIMCCASI-UHFFFAOYSA-N

Cite this record

CBID:810708 http://www.chembase.cn/molecule-810708.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(3-fluorophenoxy)propan-2-one
IUPAC Traditional name
1-(3-fluorophenoxy)propan-2-one
Synonyms
1-(3-FLUOROPHENOXY)-2-PROPANONE
CAS Number
1036762-57-8

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O29505 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O29505 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 18.275349  H Acceptors
H Donor LogD (pH = 5.5) 1.7658854 
LogD (pH = 7.4) 1.7658854  Log P 1.7658854 
Molar Refractivity 42.3733 cm3 Polarizability 16.299772 Å3
Polar Surface Area 26.3 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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