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Molecule
ID:11967
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₅H₃F₇
Molecular Mass
196.0661424
Exact Mass
196.01229764
Charge
0
InChI
InChI=1S/C5H3F7/c6-2-1-3(7,8)5(11,12)4(2,9)10/h2H,1H2
InChIKey
IDBYQQQHBYGLEQ-UHFFFAOYSA-N
Canonic Smiles
FC1CC(C(C1(F)F)(F)F)(F)F
Isomeric Smiles
C1(C(CC(C1(F)F)(F)F)F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.6329882
LogD (pH = 7.4)
2.6329882
Log P
2.6329882
Molar Refractivity
22.7262
Polarizability
9.068888
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
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Molecule Details
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Data Source
Commercial Catalog
Matrix Scientific
008980
Apollo Scientific
PC5833
Academic Data
PubChem
3853245
Names and Identifiers
Synonyms
1H,1H,2H-Perfluorocyclopentane
1,1,2,2,3,3,4-Heptafluorocyclopentane
1H,1H,2H-Heptafluorocyclopentane
IUPAC Traditional name
1,1,2,2,3,3,4-heptafluorocyclopentane
IUPAC name
1,1,2,2,3,3,4-heptafluorocyclopentane
Registration numbers
MDL Number
MFCD03844796
CAS Number
15290-77-4
PubChem SID
160975274
PubChem CID
3853245
References
PubChem Literature
No Data Available
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Bioactivity
PubChem BioAssay
Properties
Product Information
Purity
99%
Source
Physical Property
Boiling Point
82.5°C
Source
Density
1.580
Source
Safety Information
Storage Warning
IRRITANT
Source
Irritant
Source
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false
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MSDS Link
TSCA Listed