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708976-50-5 molecular structure
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2-amino-5-(4-fluorophenyl)furan-3-carbonitrile

ChemBase ID: 816270
Molecular Formular: C11H7FN2O
Molecular Mass: 202.1844832
Monoisotopic Mass: 202.05424107
SMILES and InChIs

SMILES:
o1c(c(cc1c1ccc(cc1)F)C#N)N
Canonical SMILES:
N#Cc1cc(oc1N)c1ccc(cc1)F
InChI:
InChI=1S/C11H7FN2O/c12-9-3-1-7(2-4-9)10-5-8(6-13)11(14)15-10/h1-5H,14H2
InChIKey:
PWVFOQJSCOFXFO-UHFFFAOYSA-N

Cite this record

CBID:816270 http://www.chembase.cn/molecule-816270.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-amino-5-(4-fluorophenyl)furan-3-carbonitrile
IUPAC Traditional name
2-amino-5-(4-fluorophenyl)furan-3-carbonitrile
Synonyms
2-AMINO-5-(4-FLUOROPHENYL)FURAN-3-CARBONITRILE
CAS Number
708976-50-5

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O40394 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O40394 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.933134  H Acceptors
H Donor LogD (pH = 5.5) 1.939881 
LogD (pH = 7.4) 1.939881  Log P 1.939881 
Molar Refractivity 53.4768 cm3 Polarizability 20.766153 Å3
Polar Surface Area 62.95 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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