Molecule

ID:59457

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₉F₂NO₃
Molecular Mass
251.2702664
Exact Mass
251.13329991
Charge
0
InChI
InChI=1S/C11H19F2NO3/c1-10(2,3)17-9(16)14-5-8(6-15)4-11(12,13)7-14/h8,15H,4-7H2,1-3H3
InChIKey
DKUMSJHVAJEAQF-UHFFFAOYSA-N
Canonic Smiles
OCC1CN(CC(C1)(F)F)C(=O)OC(C)(C)C
Isomeric Smiles
N1(CC(CC(C1)CO)(F)F)C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
15.420015
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.93790424
LogD (pH = 7.4)
0.93790424
Log P
0.93790424
Molar Refractivity
58.3094
Polarizability
22.422445
Polar Surface Area
49.77
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation
tert-butyl 3,3-difluoro-5-(hydroxymethyl)piperidine-1-carboxylate|tert-butyl 3,3-difluoro-5-(hydroxymethyl)piperidine-1-carboxylate|3,3-Difluoro-5-hydroxymethyl-piperidine-1-carboxylic acid tert-but... | Molfinder