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MFCD09040674 molecular structure
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1-(difluoromethyl)-2-(hydrazinylmethyl)-1H-imidazole

ChemBase ID: 280095
Molecular Formular: C5H8F2N4
Molecular Mass: 162.1406264
Monoisotopic Mass: 162.07170272
SMILES and InChIs

SMILES:
n1(c(ncc1)CNN)C(F)F
Canonical SMILES:
NNCc1nccn1C(F)F
InChI:
InChI=1S/C5H8F2N4/c6-5(7)11-2-1-9-4(11)3-10-8/h1-2,5,10H,3,8H2
InChIKey:
BGSVRLMAKZBQIM-UHFFFAOYSA-N

Cite this record

CBID:280095 http://www.chembase.cn/molecule-280095.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(difluoromethyl)-2-(hydrazinylmethyl)-1H-imidazole
IUPAC Traditional name
1-(difluoromethyl)-2-(hydrazinylmethyl)imidazole
Synonyms
1-(difluoromethyl)-2-(hydrazinomethyl)-1H-imidazole
MDL Number
MFCD09040674
PubChem SID
180665626
PubChem CID
16228734

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-87167 external link Add to cart Please log in.
Data Source Data ID
PubChem 16228734 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.339834  LogD (pH = 7.4) 0.012625636 
Log P 0.019489575  Molar Refractivity 46.6957 cm3
Polarizability 13.305567 Å3 Polar Surface Area 55.87 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
-1.155 expand Show data source
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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