Molecule

ID:98241

General Information
Structure
MolImage
Molecular Formula
C₈H₈F₃NO
Molecular Mass
191.1504296
Exact Mass
191.05579854
Charge
0
InChI
InChI=1S/C8H8F3NO/c9-8(10,11)5-13-7-3-1-6(12)2-4-7/h1-4H,5,12H2
InChIKey
OXFDNUZWKFKMSB-UHFFFAOYSA-N
Canonic Smiles
FC(COc1ccc(cc1)N)(F)F
Isomeric Smiles
Nc1ccc(cc1)OCC(F)(F)F
Calculated Properties
JChem
Acid pKa
19.858774
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.8920397
LogD (pH = 7.4)
1.9410819
Log P
1.9417448
Molar Refractivity
42.6717
Polarizability
15.237949
Polar Surface Area
35.25
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
Molecule Details
References
Bioactivity
Navigation
CAS 57946-61-9|4-(2,2,2-trifluoroethoxy)aniline|4-(2,2,2-Trifluoroethoxy)aniline 97%|4-(2,2,2-trifluoroethoxy)aniline|4-(2,2,2-trifluoroethoxy)aniline | Molfinder