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MFCD04039301 molecular structure
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2,2,3,3,4,4,5,5-octafluorohexane-1,6-diamine

ChemBase ID: 100269
Molecular Formular: C6H8F8N2
Molecular Mass: 260.1283456
Monoisotopic Mass: 260.05597403
SMILES and InChIs

SMILES:
NCC(F)(F)C(F)(F)C(C(CN)(F)F)(F)F
Canonical SMILES:
NCC(C(C(C(CN)(F)F)(F)F)(F)F)(F)F
InChI:
InChI=1S/C6H8F8N2/c7-3(8,1-15)5(11,12)6(13,14)4(9,10)2-16/h1-2,15-16H2
InChIKey:
SQYCOUFPSXBQSO-UHFFFAOYSA-N

Cite this record

CBID:100269 http://www.chembase.cn/molecule-100269.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,2,3,3,4,4,5,5-octafluorohexane-1,6-diamine
IUPAC Traditional name
2,2,3,3,4,4,5,5-octafluorohexane-1,6-diamine
Synonyms
2,2,3,3,4,4,5,5-Octafluoro-1,6-hexamethylenediamine
MDL Number
MFCD04039301
PubChem SID
162087793
PubChem CID
2779375

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
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Data Source Data ID
PubChem 2779375 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Donor LogD (pH = 5.5) -2.3390172 
LogD (pH = 7.4) 0.7950134  Log P 1.3801281 
Molar Refractivity 36.5406 cm3 Polarizability 14.274433 Å3
Polar Surface Area 52.04 Å2 Rotatable Bonds
Lipinski's Rule of Five true  H Acceptors

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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