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88562-41-8 molecular structure
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3,4,4,4-tetrafluoro-3-(trifluoromethyl)but-1-ene

ChemBase ID: 9640
Molecular Formular: C5H3F7
Molecular Mass: 196.0661424
Monoisotopic Mass: 196.01229764
SMILES and InChIs

SMILES:
C=CC(C(F)(F)F)(F)C(F)(F)F
Canonical SMILES:
C=CC(C(F)(F)F)(C(F)(F)F)F
InChI:
InChI=1S/C5H3F7/c1-2-3(6,4(7,8)9)5(10,11)12/h2H,1H2
InChIKey:
YOIHZDOLVJDWDY-UHFFFAOYSA-N

Cite this record

CBID:9640 http://www.chembase.cn/molecule-9640.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3,4,4,4-tetrafluoro-3-(trifluoromethyl)but-1-ene
IUPAC Traditional name
3,4,4,4-tetrafluoro-3-(trifluoromethyl)but-1-ene
Synonyms
3-Trifluoromethyl-3,4,4,4-tetrafluorobutene-1
3,4,4,4-Tetrafluoro-3-(trifluoromethyl)but-1-ene 97%
CAS Number
88562-41-8
MDL Number
MFCD00043835
PubChem SID
160972947
PubChem CID
2777831

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2777831 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.9974928  LogD (pH = 7.4) 2.9974928 
Log P 2.9974928  Molar Refractivity 26.1919 cm3
Polarizability 9.414313 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
21-25°C expand Show data source
Storage Warning
GAS 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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