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74793-72-9 molecular structure
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(3E)-1-bromo-1,1,2,2-tetrafluorooct-3-ene

ChemBase ID: 6468
Molecular Formular: C8H11BrF4
Molecular Mass: 263.0705528
Monoisotopic Mass: 261.99802523
SMILES and InChIs

SMILES:
C(=C\C(C(Br)(F)F)(F)F)/CCCC
Canonical SMILES:
CCCC/C=C/C(C(Br)(F)F)(F)F
InChI:
InChI=1S/C8H11BrF4/c1-2-3-4-5-6-7(10,11)8(9,12)13/h5-6H,2-4H2,1H3/b6-5+
InChIKey:
ZIUUSJGUQRYFKK-AATRIKPKSA-N

Cite this record

CBID:6468 http://www.chembase.cn/molecule-6468.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3E)-1-bromo-1,1,2,2-tetrafluorooct-3-ene
1-bromo-1,1,2,2-tetrafluorooct-3-ene
IUPAC Traditional name
(3E)-1-bromo-1,1,2,2-tetrafluorooct-3-ene
1-bromo-1,1,2,2-tetrafluorooct-3-ene
Synonyms
1-Bromo-1,1,2,2-tetrafluoro-3-octene
1-Bromo-1,1,2,2-tetrafluorooct-3-ene 97%
CAS Number
74793-72-9
MDL Number
MFCD00153715
PubChem SID
160969775
PubChem CID
5364859

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 5364859 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.6359143  LogD (pH = 7.4) 4.6359143 
Log P 4.6359143  Molar Refractivity 48.3696 cm3
Polarizability 17.538338 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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