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149790-22-7 molecular structure
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tris(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl) phosphate

ChemBase ID: 179294
Molecular Formular: C30H12F51O4P
Molecular Mass: 1436.3062042
Monoisotopic Mass: 1435.96588471
SMILES and InChIs

SMILES:
O(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)P(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
Canonical SMILES:
FC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(CCOP(=O)(OCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
InChI:
InChI=1S/C30H12F51O4P/c31-7(32,10(37,38)13(43,44)16(49,50)19(55,56)22(61,62)25(67,68)28(73,74)75)1-4-83-86(82,84-5-2-8(33,34)11(39,40)14(45,46)17(51,52)20(57,58)23(63,64)26(69,70)29(76,77)78)85-6-3-9(35,36)12(41,42)15(47,48)18(53,54)21(59,60)24(65,66)27(71,72)30(79,80)81/h1-6H2
InChIKey:
LWAHZPPAFSQPGA-UHFFFAOYSA-N

Cite this record

CBID:179294 http://www.chembase.cn/molecule-179294.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tris(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl) phosphate
IUPAC Traditional name
tris(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl) phosphate
Synonyms
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluoro-1-decanol Phosphate
Tris[2-(perfluorooctyl)ethyl] Phosphate
CAS Number
149790-22-7
PubChem SID
164235204
PubChem CID
19609746

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC T886370 external link Add to cart
PubChem 19609746 external link
Data Source Data ID Price
TRC
T886370 external link Add to cart Please log in.
Data Source Data ID
PubChem 19609746 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 18.503473  LogD (pH = 7.4) 18.503473 
Log P 18.503473  Molar Refractivity 155.8325 cm3
Polarizability 62.21875 Å3 Polar Surface Area 44.76 Å2
Rotatable Bonds 33  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - T886370 external link
Fluoro phosphates useful as surfactants, surface treating agents, leveling agents.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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