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307-35-5 molecular structure
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1-chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane

ChemBase ID: 98464
Molecular Formular: C8ClF17
Molecular Mass: 454.5114544
Monoisotopic Mass: 453.94170742
SMILES and InChIs

SMILES:
FC(C(C(C(F)(F)C(C(F)(C(F)(C(Cl)(F)F)F)F)(F)F)(F)F)(F)F)(F)F
Canonical SMILES:
FC(C(C(C(C(C(C(C(Cl)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI:
InChI=1S/C8ClF17/c9-7(22,23)5(18,19)3(14,15)1(10,11)2(12,13)4(16,17)6(20,21)8(24,25)26
InChIKey:
SYVYTZLRTMPUCD-UHFFFAOYSA-N

Cite this record

CBID:98464 http://www.chembase.cn/molecule-98464.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane
IUPAC Traditional name
1-chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane
Synonyms
1-Chloroperfluorooctane 97%
CAS Number
307-35-5
PubChem SID
162084890
PubChem CID
101641

DATA SOURCES

DATA SOURCES

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Apollo Scientific
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Data Source Data ID
PubChem 101641 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 6.4922605  LogD (pH = 7.4) 6.4922605 
Log P 6.4922605  Molar Refractivity 45.712 cm3
Polarizability 18.02126 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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