C1CCC2(CC1)CC(CCO2)(CC#N)C3=CC=C(C=C3)F
Name: 2-[4-(4-fluorophenyl)-1-oxaspiro[5.5]undecan-4-yl]acetonitrile
SMILES: C1CCC2(CC1)CC(CCO2)(CC#N)C3=CC=C(C=C3)F

Molecular Processing

Molecular formula
C18H22FNO
Molecular weight
287.38
Exact mass
287.1685
XLogP
4.49
TPSA
33.02
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
21
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.611
Molar refractivity
79.31

Supplementary Information

InChIKey: FOWMFQKLWLFULE-UHFFFAOYSA-N
Synonyme
SCHEMBL12542609FOWMFQKLWLFULE-UHFFFAOYSA-N2-[4-(4-fluorophenyl)-1-oxaspiro[5.5]undecan-4-yl]acetonitrile
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