CCOC(=O)C(C(C1=CC=CC=C1)OC(=O)C23CC4CC(C2)CC(C4)C3)(F)F
Name: (3-ethoxy-2,2-difluoro-3-oxo-1-phenylpropyl) adamantane-1-carboxylate
SMILES: CCOC(=O)C(C(C1=CC=CC=C1)OC(=O)C23CC4CC(C2)CC(C4)C3)(F)F

Molecular Processing

Molecular formula
C22H26F2O4
Molecular weight
392.44
Exact mass
392.1799
XLogP
4.69
TPSA
52.6
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
28
Rings
5
Aromatic rings
1
Saturated rings
4
Aliphatic rings
4
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.636
Molar refractivity
97.46

Supplementary Information

InChIKey: QPWCYIKQONTCQH-UHFFFAOYSA-N
Synonyme
2-ethoxycarbonyl-2,2-difluoro-1-phenylethyl 1-adamantanecarboxylateSCHEMBL165845542-etoxycarbonyl-2,2-difluoro-1-phenylethyl 1-adamantanecarboxylate1-adamantane carboxylic acid 2-ethoxycarbonyl-2,2-difluoro-1-phenyl-ethyl ester1-adamantane carboxylic acid 2-ethoxycarbonyl-2,2-difluoro-1-phenylethyl ester
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