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375-03-1 molecular structure
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1,1,1,2,2,3,3-heptafluoro-3-methoxypropane

ChemBase ID: 9553
Molecular Formular: C4H3F7O
Molecular Mass: 200.0548424
Monoisotopic Mass: 200.00721226
SMILES and InChIs

SMILES:
C(C(C(OC)(F)F)(F)F)(F)(F)F
Canonical SMILES:
COC(C(C(F)(F)F)(F)F)(F)F
InChI:
InChI=1S/C4H3F7O/c1-12-4(10,11)2(5,6)3(7,8)9/h1H3
InChIKey:
NOPJRYAFUXTDLX-UHFFFAOYSA-N

Cite this record

CBID:9553 http://www.chembase.cn/molecule-9553.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,1,1,2,2,3,3-heptafluoro-3-methoxypropane
IUPAC Traditional name
heptafluoropropyl methyl ether
Synonyms
Heptafluoro-1-methoxypropane
Heptafluoro-1-methoxypropane
Heptafluoropropyl methyl ether 98%
CAS Number
375-03-1
MDL Number
MFCD01320779
PubChem SID
160972860
PubChem CID
2774943

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2774943 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.628427  LogD (pH = 7.4) 2.628427 
Log P 2.628427  Molar Refractivity 23.6957 cm3
Polarizability 8.892435 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)
Melting Point
-123°C expand Show data source
Boiling Point
34°C expand Show data source
34.18°C expand Show data source
Flash Point
none°C expand Show data source
Density
1.409 expand Show data source
Storage Warning
Irritant expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
98% expand Show data source

DETAILS

DETAILS

Apollo Scientific Apollo Scientific
Apollo Scientific Ltd - PC7008 external link
Viscosity 0.471cp@ 23C; Surface tension 12.39 dynes/cm.. Cylinder-1/4" NPT connection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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