Molecule

ID:93048

General Information
Structure
MolImage
Molecular Formula
C₈H₁₃F₃O
Molecular Mass
182.1834296
Exact Mass
182.0918497
Charge
0
InChI
InChI=1S/C8H13F3O/c1-2-3-5-12-6-4-7(9)8(10)11/h2-6H2,1H3
InChIKey
IZMDRNLSDAZWHH-UHFFFAOYSA-N
Canonic Smiles
CCCCOCCC(=C(F)F)F
Isomeric Smiles
O(CCC(=C(F)F)F)CCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.1942282
LogD (pH = 7.4)
2.1942282
Log P
2.1942282
Molar Refractivity
52.1716
Polarizability
15.283373
Polar Surface Area
9.23
Rotatable Bonds
6
Lipinski's Rule of Five
true
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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