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Molecule
ID:11990
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₄F₇I
Molecular Mass
307.9360924
Exact Mass
307.89329554
Charge
0
InChI
InChI=1S/C4F7I/c5-1(2(6)12)3(7,8)4(9,10)11/b2-1-
InChIKey
QXJDESBAUIILLG-UPHRSURJSA-N
Canonic Smiles
F/C(=C(\C(C(F)(F)F)(F)F)/F)/I
Isomeric Smiles
C(=C(\C(C(F)(F)F)(F)F)/F)(\F)/I
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.7394712
LogD (pH = 7.4)
3.7394712
Log P
3.7394712
Molar Refractivity
43.2965
Polarizability
13.400631
Polar Surface Area
0.0
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Registration numbers
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Properties
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Related Proteins
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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
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RDKit
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JChem
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IUPAC Traditional name
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IUPAC name
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Synonyms
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PubChem CID
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Product Information
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Molecular Spectra
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From Data Sources
Bioactivity
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PubChem BioAssay
Data Source
Commercial Catalog
Apollo Scientific
PC0893
Matrix Scientific
009005
Academic Data
PubChem
2774920
Names and Identifiers
IUPAC Traditional name
(1Z)-1,2,3,3,4,4,4-heptafluoro-1-iodobut-1-ene
1,2,3,3,4,4,4-heptafluoro-1-iodobut-1-ene
IUPAC name
(1Z)-1,2,3,3,4,4,4-heptafluoro-1-iodobut-1-ene
1,2,3,3,4,4,4-heptafluoro-1-iodobut-1-ene
Synonyms
Heptafluoro-1-iodobut-1-ene
Registration numbers
PubChem CID
2774920
PubChem SID
160975297
MDL Number
MFCD00155830
CAS Number
113612-30-9
Properties
Safety Information
TSCA Listed
false
Source
Storage Warning
IRRITANT, LIGHT SENSITIVE
Source
Irritant
Source
MSDS Link
Download link
Source
Product Information
Purity
97%
Source
References
PubChem Literature
No Data Available
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Bioactivity
PubChem BioAssay