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507-68-6 molecular structure
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hexafluoropentanediamide

ChemBase ID: 97520
Molecular Formular: C5H4F6N2O2
Molecular Mass: 238.0878792
Monoisotopic Mass: 238.0176967
SMILES and InChIs

SMILES:
NC(=O)C(F)(C(F)(F)C(C(=O)N)(F)F)F
Canonical SMILES:
NC(=O)C(C(C(C(=O)N)(F)F)(F)F)(F)F
InChI:
InChI=1S/C5H4F6N2O2/c6-3(7,1(12)14)5(10,11)4(8,9)2(13)15/h(H2,12,14)(H2,13,15)
InChIKey:
WBOGURVAQVCKGX-UHFFFAOYSA-N

Cite this record

CBID:97520 http://www.chembase.cn/molecule-97520.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
hexafluoropentanediamide
IUPAC Traditional name
hexafluoropentanediamide
Synonyms
Perfluoroglutaramide
Hexafluoroglutaramide
Hexafluoroglutaramide 97%
HEXAFLUOROGLUTARAMIDE
六氟戊二酰胺
CAS Number
507-68-6
MDL Number
MFCD00014804
PubChem SID
162084127
PubChem CID
136339

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 136339 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 5.329686  H Acceptors
H Donor LogD (pH = 5.5) 0.5190126 
LogD (pH = 7.4) 0.77279466  Log P 0.22429134 
Molar Refractivity 32.087 cm3 Polarizability 12.447251 Å3
Polar Surface Area 86.18 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
209-211°C expand Show data source
213-214°C expand Show data source
Storage Warning
Irritant expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
36/37/38 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
98% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05214540 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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