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Molecule
ID:99237
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₂HF₄I
Molecular Mass
227.9274228
Exact Mass
227.90591091
Charge
0
InChI
InChI=1S/C2HF4I/c3-1(4)2(5,6)7/h1H
InChIKey
PIFDIGQPGUUCSG-UHFFFAOYSA-N
Canonic Smiles
FC(C(I)(F)F)F
Isomeric Smiles
FC(F)C(F)(I)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
1.515
LogD (pH = 7.4)
1.515
Log P
1.515
Molar Refractivity
24.9542
Polarizability
9.989549
Polar Surface Area
0.0
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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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
•
RDKit
•
JChem
Data Source
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Commercial Catalog
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Academic Data
Names and Identifiers
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IUPAC name
•
IUPAC Traditional name
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Synonyms
Registration numbers
Properties
•
Physical Property
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Safety Information
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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
•
PubChem BioAssay
Data Source
Commercial Catalog
Apollo Scientific
PC6783
Alfa Aesar
L16795
Academic Data
PubChem
136180
Names and Identifiers
IUPAC name
1,1,2,2-tetrafluoro-1-iodoethane
IUPAC Traditional name
1,1,2,2-tetrafluoro-1-iodoethane
Synonyms
1-Iodo-1,1,2,2-tetrafluoroethane
2-Iodo-1H-perfluoroethane 97%
1,1,2,2-Tetrafluoroethyl iodide
1,1,2,2-Tetrafluoroiodoethane
1,1,2,2-四氟碘乙烷
1,1,2,2-Tetrafluoro-1-iodoethane
Registration numbers
CAS Number
354-41-6
MDL Number
MFCD00069111
PubChem CID
136180
PubChem SID
162085523
Beilstein Number
1736685
Molecule Details
Apollo Scientific
PC6783
Cylinder
References
PubChem Literature
No Data Available
Click here to submit data
Bioactivity
PubChem BioAssay
Registration numbers
•
CAS Number
•
MDL Number
•
PubChem CID
•
PubChem SID
•
Beilstein Number
Properties
Physical Property
Flash Point
none°C
Source
Boiling Point
41-42°C
Source
41-42°C
Source
Refractive Index
1.3760
Source
Safety Information
Storage Warning
Toxic/Harmful/Light Sensitive/Keep Cold
Source
Light Sensitive
Source
36/37/38
Source
Irritant (Xi)
P261
-
P305+P351+P338
-
P302+P352
-
P321
-
P405
-P501A
Source
26
-
37
Source
Acute toxicity (oral, dermal, inhalation), category 4
Skin irritation, category 2
Eye irritation, category 2
Skin sensitisation, category 1
Specific Target Organ Toxicity – Single exposure, category 3
H315
-
H319
-
H335
Source
否
Source
Product Information
97%, stab. with copper
Source
Source
Source
Risk Statements
European Hazard Symbols
GHS Precautionary statements
Safety Statements
GHS Pictograms
GHS Hazard statements
TSCA Listed
Purity