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360-53-2 molecular structure
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1,3,3,3-tetrafluoro-1-methoxy-2-(trifluoromethyl)prop-1-ene

ChemBase ID: 8084
Molecular Formular: C5H3F7O
Molecular Mass: 212.0655424
Monoisotopic Mass: 212.00721226
SMILES and InChIs

SMILES:
C(=C(F)OC)(C(F)(F)F)C(F)(F)F
Canonical SMILES:
COC(=C(C(F)(F)F)C(F)(F)F)F
InChI:
InChI=1S/C5H3F7O/c1-13-3(6)2(4(7,8)9)5(10,11)12/h1H3
InChIKey:
FSDLLONBRLBIBL-UHFFFAOYSA-N

Cite this record

CBID:8084 http://www.chembase.cn/molecule-8084.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,3,3,3-tetrafluoro-1-methoxy-2-(trifluoromethyl)prop-1-ene
IUPAC Traditional name
1,3,3,3-tetrafluoro-1-methoxy-2-(trifluoromethyl)prop-1-ene
Synonyms
1,1,1,3-Tetrafluoro-2-(trifluoromethyl)-4-oxapent-2-ene
1-Methoxyperfluoro(2-methylprop-1-ene)
1-Methoxy-1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-ene 97%
CAS Number
360-53-2
MDL Number
MFCD00054679
PubChem SID
160971391
PubChem CID
9672

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 9672 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Molar Refractivity 38.7404 cm3 Polarizability 10.252624 Å3
Polar Surface Area 9.23 Å2 Rotatable Bonds
Lipinski's Rule of Five true  H Acceptors
H Donor LogD (pH = 5.5) 2.5118961 
LogD (pH = 7.4) 2.5118961  Log P 2.5118961 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
98-104°C expand Show data source
Density
1.508 expand Show data source
Refractive Index
1.317 expand Show data source
Storage Warning
IRRITANT, FLAMMABLE expand Show data source
Toxic 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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