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162104882 molecular structure
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bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl)amine

ChemBase ID: 93088
Molecular Formular: C16H5F30N
Molecular Mass: 781.169696
Monoisotopic Mass: 780.99429577
SMILES and InChIs

SMILES:
FC(C(F)(F)C(C(F)(F)C(C(C(CNCC(C(C(F)(F)C(C(F)(C(F)(F)C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Canonical SMILES:
FC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(CNCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
InChI:
InChI=1S/C16H5F30N/c17-3(18,5(21,22)7(25,26)9(29,30)11(33,34)13(37,38)15(41,42)43)1-47-2-4(19,20)6(23,24)8(27,28)10(31,32)12(35,36)14(39,40)16(44,45)46/h47H,1-2H2
InChIKey:
FTLIVFJKISSELN-UHFFFAOYSA-N

Cite this record

CBID:93088 http://www.chembase.cn/molecule-93088.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl)amine
IUPAC Traditional name
bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl)amine
Synonyms
Bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooct-1-yl)amine
Bis(1H,1H-perfluorooct-1-yl)amine
PubChem SID
162104882
PubChem CID
18450406

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
PC01652 external link Add to cart Please log in.
Data Source Data ID
PubChem 18450406 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 10.119789  LogD (pH = 7.4) 10.12496 
Log P 10.125027  Molar Refractivity 81.6096 cm3
Polarizability 32.23771 Å3 Polar Surface Area 12.03 Å2
Rotatable Bonds 16  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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