Molecule

ID:6476

General Information
Structure
MolImage
Molecular Formula
C₄H₆F₄O
Molecular Mass
146.0834528
Exact Mass
146.03547769
Charge
0
InChI
InChI=1S/C4H6F4O/c1-2-9-4(7,8)3(5)6/h3H,2H2,1H3
InChIKey
HBRLMDFVVMYNFH-UHFFFAOYSA-N
Canonic Smiles
CCOC(C(F)F)(F)F
Isomeric Smiles
CCOC(C(F)F)(F)F
Calculated Properties
JChem
Acid pKa
18.883286
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.7958318
LogD (pH = 7.4)
1.7958318
Log P
1.7958318
Molar Refractivity
22.8866
Polarizability
8.511741
Polar Surface Area
9.23
Rotatable Bonds
3
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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