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16650-32-1 molecular structure
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5,8-difluoroquinoline

ChemBase ID: 291444
Molecular Formular: C9H5F2N
Molecular Mass: 165.1395064
Monoisotopic Mass: 165.03900561
SMILES and InChIs

SMILES:
Fc1c2ncccc2c(F)cc1
Canonical SMILES:
Fc1ccc(c2c1nccc2)F
InChI:
InChI=1S/C9H5F2N/c10-7-3-4-8(11)9-6(7)2-1-5-12-9/h1-5H
InChIKey:
RUGDURZULGJEHD-UHFFFAOYSA-N

Cite this record

CBID:291444 http://www.chembase.cn/molecule-291444.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5,8-difluoroquinoline
IUPAC Traditional name
5,8-difluoroquinoline
Synonyms
5,8-Difluoroquinoline
CAS Number
16650-32-1
MDL Number
MFCD01939053
PubChem SID
180676975
PubChem CID
155433

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD231311 Please log in.
Data Source Data ID
PubChem 155433 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.416264  LogD (pH = 7.4) 2.4163039 
Log P 2.4163043  Molar Refractivity 40.4121 cm3
Polarizability 16.264399 Å3 Polar Surface Area 12.89 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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