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Molecule
ID:9659
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₉H₉F₅Si
Molecular Mass
240.245276
Exact Mass
240.03936792
Charge
0
InChI
InChI=1S/C9H9F5Si/c1-15(2,3)9-7(13)5(11)4(10)6(12)8(9)14/h1-3H3
InChIKey
GABHTFORECKGBB-UHFFFAOYSA-N
Canonic Smiles
Fc1c(F)c(F)c(c(c1F)[Si](C)(C)C)F
Isomeric Smiles
[Si](C)(C)(C)c1c(F)c(F)c(c(c1F)F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.3287
LogD (pH = 7.4)
4.3287
Log P
4.3287
Molar Refractivity
43.2036
Polarizability
17.684303
Polar Surface Area
0.0
Rotatable Bonds
1
Lipinski's Rule of Five
true
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Molecular Spectra
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Molecule Details
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Bioactivity
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General Information
Calculated Properties
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RDKit
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IUPAC Traditional name
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IUPAC name
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Synonyms
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Product Information
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Physical Property
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Safety Information
Related Proteins
Molecular Spectra
Molecule Details
References
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From Data Sources
Bioactivity
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PubChem BioAssay
Data Source
Commercial Catalog
Apollo Scientific
PC10095
Matrix Scientific
006067
Sigma Aldrich
389811
Academic Data
PubChem
297554
Names and Identifiers
IUPAC Traditional name
trimethyl(pentafluorophenyl)silane
IUPAC name
trimethyl(pentafluorophenyl)silane
Synonyms
Pentafluorophenyl(trimethyl)silane
Trimethyl(pentafluorophenyl)silane
三甲基五氟苯基硅烷
Trimethyl(pentafluorophenyl)silane
(五氟苯基)三甲基硅烷
(Pentafluorophenyl)trimethylsilane
Registration numbers
MDL Number
MFCD00092630
CAS Number
1206-46-8
PubChem SID
24864299
160972966
Beilstein Number
2942734
PubChem CID
297554
References
PubChem Literature
No Data Available
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Bioactivity
PubChem BioAssay
Registration numbers
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MDL Number
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CAS Number
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PubChem SID
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Beilstein Number
•
PubChem CID
Properties
Product Information
Purity
97%
Source
98%
Source
Linear Formula
C6F5Si(CH3)3
Source
Physical Property
Boiling Point
170-172°C
Source
170 °C(lit.)
Source
Density
1.261
Source
1.261 g/mL at 25 °C(lit.)
Source
Flash Point
54°C
Source
54 °C
Source
129 °F
Source
Refractive Index
1.433
Source
n20/D 1.433(lit.)
Source
Safety Information
TSCA Listed
false
Source
Storage Warning
IRRITANT
Source
Irritant
Source
MSDS Link
Download link
Source
Download link
Source
3
Source
3
Source
1993
Source
UN 1993 3/PG 3
Source
3
Source
Packing Group
Hazard Class
UN Number
RID/ADR
German water hazard class