Molfinder
Home
Support
About Us
Data Source
Statistics
Blogs
Molecule
ID:32012
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₈F₁₀
Molecular Mass
286.069632
Exact Mass
285.9840322
Charge
0
InChI
InChI=1S/C8F10/c9-3-1(7(13,14)15)4(10)6(12)2(5(3)11)8(16,17)18
InChIKey
WWZNHODBHBVRID-UHFFFAOYSA-N
Canonic Smiles
FC(c1c(F)c(F)c(c(c1F)F)C(F)(F)F)(F)F
Isomeric Smiles
c1(c(c(c(c(c1C(F)(F)F)F)F)C(F)(F)F)F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.2997503
LogD (pH = 7.4)
4.2997503
Log P
4.2997503
Molar Refractivity
38.871
Polarizability
13.4684
Polar Surface Area
0.0
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Loading...
Bioactivity
Loading...
Quote
Download
Navigation
General Information
Calculated Properties
•
RDKit
•
JChem
Data Source
•
Commercial Catalog
•
Academic Data
Names and Identifiers
•
Synonyms
•
IUPAC Traditional name
•
IUPAC name
Registration numbers
•
PubChem SID
•
PubChem CID
•
CAS Number
•
MDL Number
Properties
•
Safety Information
•
Product Information
•
Physical Property
Related Proteins
Molecular Spectra
Molecule Details
References
•
PubChem Literature
•
From Data Sources
Bioactivity
•
PubChem BioAssay
Data Source
Commercial Catalog
Matrix Scientific
034697
Apollo Scientific
PC10025
Academic Data
PubChem
136466
Names and Identifiers
Synonyms
1,2,4,5-Tetrafluoro-3,6-(trifluoromethyl)benzene
Perfluoro-p-xylene
Tetrafluoro-1,4-bis(trifluoromethyl)benzene
IUPAC Traditional name
1,2,4,5-tetrafluoro-3,6-bis(trifluoromethyl)benzene
IUPAC name
1,2,4,5-tetrafluoro-3,6-bis(trifluoromethyl)benzene
Registration numbers
PubChem SID
160995319
PubChem CID
136466
CAS Number
651-89-8
MDL Number
MFCD00054264
Properties
Safety Information
MSDS Link
Download link
Source
Storage Warning
IRRITANT
Source
Irritant
Source
TSCA Listed
false
Source
Product Information
Purity
95%
Source
Physical Property
Refractive Index
1.3606
Source
Boiling Point
121-122°C
Source
References
PubChem Literature
No Data Available
Click here to submit data
Bioactivity
PubChem BioAssay