Molecule

ID:8074

General Information
Structure
Molecular Formula
C₄H₆F₄O
Molecular Mass
146.0834528
Exact Mass
146.03547769
Charge
0
InChI
InChI=1S/C4H6F4O/c1-9-2-4(7,8)3(5)6/h3H,2H2,1H3
InChIKey
CTXZHYNQHNBVKL-UHFFFAOYSA-N
Canonic Smiles
COCC(C(F)F)(F)F
Isomeric Smiles
C(OC)C(F)(F)C(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.2915279
LogD (pH = 7.4)
1.2915279
Log P
1.2915279
Molar Refractivity
22.2409
Polarizability
8.507283
Polar Surface Area
9.23
Rotatable Bonds
3
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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