COC(=O)C(C#N)C1(CCOC2(C1)CCCC2)C3=CC=C(C=C3)F
Name: methyl 2-cyano-2-[9-(4-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]acetate
SMILES: COC(=O)C(C#N)C1(CCOC2(C1)CCCC2)C3=CC=C(C=C3)F

Molecular Processing

Molecular formula
C19H22FNO3
Molecular weight
331.39
Exact mass
331.1584
XLogP
3.5
TPSA
59.32
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
24
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.579
Molar refractivity
85.58

Supplementary Information

InChIKey: KBGXRBNNZAIPTJ-UHFFFAOYSA-N
Synonyme
SCHEMBL12542588KBGXRBNNZAIPTJ-UHFFFAOYSA-Nmethyl 2-cyano-2-[9-(4-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]acetate
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