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Molecule
ID:9138
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₇HF₁₅
Molecular Mass
370.058888
Exact Mass
369.98387333
Charge
0
InChI
InChI=1S/C7HF15/c8-1(9)2(10,11)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)22/h1H
InChIKey
HBZVXKDQRIQMCW-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
Isomeric Smiles
C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)(F)F
Calculated Properties
JChem
Acid pKa
19.786777
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.0961704
LogD (pH = 7.4)
5.0961704
Log P
5.0961704
Molar Refractivity
35.3195
Polarizability
14.173672
Polar Surface Area
0.0
Rotatable Bonds
6
Lipinski's Rule of Five
false
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
暂无数据
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References
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Bioactivity
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From Data Sources
Bioactivity
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PubChem BioAssay
Data Source
Commercial Catalog
Apollo Scientific
PC6030
Matrix Scientific
005283
Academic Data
PubChem
9778
Names and Identifiers
Synonyms
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-Pentadecafluoroheptane
1H-Perfluoroheptane 97%
1H-Perfluoroheptane
IUPAC Traditional name
1-hydro-pentadecafluoroheptane
IUPAC name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoroheptane
Registration numbers
PubChem CID
9778
PubChem SID
160972445
MDL Number
MFCD00042108
CAS Number
27213-61-2
References
PubChem Literature
No Data Available
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Bioactivity
PubChem BioAssay
Properties
Physical Property
Density
1.725
Source
Refractive Index
1.269
Source
Boiling Point
96-97°C
Source
Flash Point
none°C
Source
Safety Information
Storage Warning
IRRITANT
Source
Irritant
Source
Download link
Source
false
Source
Product Information
97%
Source
MSDS Link
TSCA Listed
Purity