Home > Compound List > Compound details
57212-34-7 molecular structure
click picture or here to close

2-fluoro-1H-imidazole

ChemBase ID: 54674
Molecular Formular: C3H3FN2
Molecular Mass: 86.0677232
Monoisotopic Mass: 86.02802633
SMILES and InChIs

SMILES:
c1(ncc[nH]1)F
Canonical SMILES:
Fc1ncc[nH]1
InChI:
InChI=1S/C3H3FN2/c4-3-5-1-2-6-3/h1-2H,(H,5,6)
InChIKey:
LNFZAUNJFRYZLE-UHFFFAOYSA-N

Cite this record

CBID:54674 http://www.chembase.cn/molecule-54674.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-fluoro-1H-imidazole
IUPAC Traditional name
2-fluoro-1H-imidazole
Synonyms
2-Fluoro-1H-imidazole
CAS Number
57212-34-7
MDL Number
MFCD11215484
PubChem SID
162059437
PubChem CID
559542

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
059605 external link Add to cart Please log in.
Data Source Data ID
PubChem 559542 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.842152  H Acceptors
H Donor LogD (pH = 5.5) 0.48041165 
LogD (pH = 7.4) 0.46636322  Log P 0.48120087 
Molar Refractivity 19.4037 cm3 Polarizability 6.9380145 Å3
Polar Surface Area 28.68 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle