COC1=C(C=CC(=C1)N)OCC2(CC(C2)(F)F)O
名称: 1-[(4-amino-2-methoxyphenoxy)methyl]-3,3-difluorocyclobutan-1-ol
SMILES: COC1=C(C=CC(=C1)N)OCC2(CC(C2)(F)F)O

Molecular Processing

Molecular formula
C12H15F2NO3
Molecular weight
259.25
Exact mass
259.102
XLogP
1.82
TPSA
64.71
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
62.03

Supplementary Information

InChIKey: DENXFIIVBNCBNU-UHFFFAOYSA-N
同義語
1-((4-amino-2-methoxyphenoxy)methyl)-3,3-difluorocyclobutanolSCHEMBL15787721-((4-amino-2-methoxy-phenoxy)methyl)-3,3-difluorocyclobutanol
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