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Molecule
ID:9770
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₃F₅I
Molecular Mass
257.928586
Exact Mass
257.8964891
Charge
0
InChI
InChI=1S/C3F5I/c4-1(2(5)6)3(7,8)9
InChIKey
HXUXNHPLNYUXPO-UHFFFAOYSA-N
Canonic Smiles
FC(=C(C(I)(F)F)F)F
Isomeric Smiles
IC(C(=C(F)F)F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
1.5116
LogD (pH = 7.4)
1.5116
Log P
1.5116
Molar Refractivity
40.8139
Polarizability
11.514807
Polar Surface Area
0.0
Rotatable Bonds
1
Lipinski's Rule of Five
true
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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General Information
Calculated Properties
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RDKit
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JChem
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Academic Data
Names and Identifiers
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IUPAC name
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IUPAC Traditional name
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Synonyms
Registration numbers
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CAS Number
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MDL Number
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PubChem CID
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PubChem SID
Properties
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Safety Information
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Physical Property
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Product Information
Related Proteins
Molecular Spectra
Molecule Details
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Apollo Scientific
References
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PubChem Literature
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From Data Sources
Bioactivity
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PubChem BioAssay
Data Source
Commercial Catalog
Apollo Scientific
PC3834
Matrix Scientific
006274
Academic Data
PubChem
2775181
Names and Identifiers
IUPAC name
1,1,2,3,3-pentafluoro-3-iodoprop-1-ene
IUPAC Traditional name
1,1,2,3,3-pentafluoro-3-iodoprop-1-ene
Synonyms
3-Iodopentafluoropropene-1
3-Iodo-1,1,2,3,3-pentafluoroprop-1-ene
Perfluoro(3-iodoprop-1-ene) 97%
Perfluoroallyl iodide
Registration numbers
CAS Number
431-65-2
MDL Number
MFCD02093305
PubChem CID
2775181
PubChem SID
160973077
Molecule Details
Apollo Scientific
PC3834
Useful for preparation of perfluoroallyl organometallics,Burton et al., J. Fluorine Chem., 1990,50,257
References
PubChem Literature
No Data Available
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Bioactivity
PubChem BioAssay
Properties
Safety Information
TSCA Listed
false
Source
MSDS Link
Download link
Source
Storage Warning
IRRITANT
Source
Irritant/Light Sensitive/Keep Cold
Source
Physical Property
Refractive Index
1.389
Source
53.4°C
Source
53°C
Source
2.109
Source
none°C
Source
Product Information
97%
Source
Boiling Point
Density
Flash Point
Purity