Molecule

ID:98709

General Information
Structure
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Molecular Formula
C₅H₆F₄O
Molecular Mass
158.0941528
Exact Mass
158.03547769
Charge
0
InChI
InChI=1S/C5H6F4O/c1-2-3-10-5(8,9)4(6)7/h2,4H,1,3H2
InChIKey
DTDFWYZVBJYVPL-UHFFFAOYSA-N
Canonic Smiles
C=CCOC(C(F)F)(F)F
Isomeric Smiles
O(CC=C)C(C(F)F)(F)F
Calculated Properties
JChem
Acid pKa
18.878899
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.1702738
LogD (pH = 7.4)
2.1702738
Log P
2.1702738
Molar Refractivity
27.3007
Polarizability
9.955445
Polar Surface Area
9.23
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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