Molecule

ID:9603

General Information
Structure
MolImage
Molecular Formula
C₄HF₇O₂
Molecular Mass
214.0383624
Exact Mass
213.98647681
Charge
0
InChI
InChI=1S/C4HF7O2/c5-2(6,1(12)13)3(7,8)4(9,10)11/h(H,12,13)
InChIKey
YPJUNDFVDDCYIH-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(C(C(F)(F)F)(F)F)(F)F
Isomeric Smiles
O=C(O)C(C(C(F)(F)F)(F)F)(F)F
Calculated Properties
JChem
Acid pKa
1.0653573
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.1682938
LogD (pH = 7.4)
-1.2185198
Log P
2.3102684
Molar Refractivity
22.9899
Polarizability
9.050593
Polar Surface Area
37.3
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
References
Bioactivity
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