C#CCC1CCN(CC1)C(=O)OC2=CC(=C(C=C2)F)F
Name: (3,4-difluorophenyl) 4-prop-2-ynylpiperidine-1-carboxylate
SMILES: C#CCC1CCN(CC1)C(=O)OC2=CC(=C(C=C2)F)F

Molecular Processing

Molecular formula
C15H15F2NO2
Molecular weight
279.29
Exact mass
279.1071
XLogP
3.2
TPSA
29.54
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
70.13

Supplementary Information

InChIKey: HHGKBHVSZUWFBE-UHFFFAOYSA-N
Synonyme
SCHEMBL1244446HHGKBHVSZUWFBE-UHFFFAOYSA-N3,4-Difluorophenyl 4-(prop-2-ynyl)piperidine-1-carboxylate
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