Molecule

ID:93606

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁F₇O
Molecular Mass
268.1718624
Exact Mass
268.06981251
Charge
0
InChI
InChI=1S/C9H11F7O/c1-2-3-4-5-6-7(10,8(11,12)13)17-9(14,15)16/h5-6H,2-4H2,1H3
InChIKey
HCIFORKBCMJRGT-UHFFFAOYSA-N
Canonic Smiles
CCCC/C=C/C(C(F)(F)F)(OC(F)(F)F)F
Isomeric Smiles
O(C(F)(F)F)C(/C=C/CCCC)(C(F)(F)F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.7504334
LogD (pH = 7.4)
5.7504334
Log P
5.7504334
Molar Refractivity
43.4655
Polarizability
16.961615
Polar Surface Area
9.23
Rotatable Bonds
7
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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