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35042-99-0 molecular structure
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3-(difluoromethoxy)-1,1,2,2-tetrafluoropropane

ChemBase ID: 8010
Molecular Formular: C4H4F6O
Molecular Mass: 182.0643792
Monoisotopic Mass: 182.01663407
SMILES and InChIs

SMILES:
O(C(F)F)CC(C(F)F)(F)F
Canonical SMILES:
FC(OCC(C(F)F)(F)F)F
InChI:
InChI=1S/C4H4F6O/c5-2(6)4(9,10)1-11-3(7)8/h2-3H,1H2
InChIKey:
PCTQNZRJAGLDPD-UHFFFAOYSA-N

Cite this record

CBID:8010 http://www.chembase.cn/molecule-8010.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(difluoromethoxy)-1,1,2,2-tetrafluoropropane
IUPAC Traditional name
3-(difluoromethoxy)-1,1,2,2-tetrafluoropropane
Synonyms
Difluoromethyl 2,2,3,3-tetrafluoropropyl ether 97%
Difluoromethyl 2,2,3,3-tetrafluoropropyl ether
CAS Number
35042-99-0
MDL Number
MFCD00236119
PubChem SID
160971317
PubChem CID
2737027

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2737027 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.218286  LogD (pH = 7.4) 2.218286 
Log P 2.218286  Molar Refractivity 22.2498 cm3
Polarizability 8.732542 Å3 Polar Surface Area 9.23 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
69°C expand Show data source
Density
1.47 expand Show data source
1.470 expand Show data source
Refractive Index
1.299 expand Show data source
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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