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25431-45-2 molecular structure
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3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluoronon-1-ene

ChemBase ID: 98801
Molecular Formular: C9H3F15
Molecular Mass: 396.096168
Monoisotopic Mass: 395.9995234
SMILES and InChIs

SMILES:
FC(C(C(C(F)(F)F)(F)F)(F)F)(F)C(F)(C(F)(F)C(F)(C=C)F)F
Canonical SMILES:
C=CC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI:
InChI=1S/C9H3F15/c1-2-3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)24/h2H,1H2
InChIKey:
RXZWAMINHJDYKW-UHFFFAOYSA-N

Cite this record

CBID:98801 http://www.chembase.cn/molecule-98801.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluoronon-1-ene
IUPAC Traditional name
3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluoronon-1-ene
Synonyms
1H, 1H,2H-Perfluoronon-1-ene 98%
CAS Number
25431-45-2
MDL Number
MFCD03788335
PubChem SID
162085166
PubChem CID
117482

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
Apollo Scientific
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Data Source Data ID
PubChem 117482 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 6.0617275  LogD (pH = 7.4) 6.0617275 
Log P 6.0617275  Molar Refractivity 44.5898 cm3
Polarizability 17.039976 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Irritant expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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