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885280-83-1 molecular structure
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5-fluoro-2,3-dihydro-1-benzofuran-3-amine

ChemBase ID: 811054
Molecular Formular: C8H8FNO
Molecular Mass: 153.1536232
Monoisotopic Mass: 153.0589921
SMILES and InChIs

SMILES:
NC1COc2c1cc(cc2)F
Canonical SMILES:
Fc1ccc2c(c1)C(N)CO2
InChI:
InChI=1S/C8H8FNO/c9-5-1-2-8-6(3-5)7(10)4-11-8/h1-3,7H,4,10H2
InChIKey:
YSCBVVODVORHGP-UHFFFAOYSA-N

Cite this record

CBID:811054 http://www.chembase.cn/molecule-811054.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-fluoro-2,3-dihydro-1-benzofuran-3-amine
IUPAC Traditional name
5-fluoro-2,3-dihydro-1-benzofuran-3-amine
Synonyms
5-FLUORO-2,3-DIHYDRO-BENZOFURAN-3-YLAMINE
CAS Number
885280-83-1

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O30073 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O30073 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) -1.7653344  LogD (pH = 7.4) -0.19575271 
Log P 0.97228706  Molar Refractivity 38.9122 cm3
Polarizability 15.156598 Å3 Polar Surface Area 35.25 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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