Molecule

ID:110582

General Information
Structure
MolImage
Molecular Formula
C₈HF₁₇O
Molecular Mass
436.0657944
Exact Mass
435.97559439
Charge
0
InChI
InChI=1S/C8HF17O/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)26/h26H
InChIKey
UQDUPHDELLQMOV-UHFFFAOYSA-N
Canonic Smiles
OC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
Calculated Properties
JChem
Acid pKa
4.464167
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.4191265
LogD (pH = 7.4)
2.8226938
Log P
5.488514
Molar Refractivity
42.2845
Polarizability
16.870594
Polar Surface Area
20.23
Rotatable Bonds
7
Lipinski's Rule of Five
false
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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