S8G

1-[(3~{R})-3-azanylpiperidin-1-yl]-4,4,4-tris(fluoranyl)butan-1-one

Created:	2020-03-05
Last modified:	2020-04-22

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2 entries where S8G is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	1
Bond Count	30
Aromatic Bond Count	0

2D diagram of S8G

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Chemical Component Summary
Name	1-[(3~{R})-3-azanylpiperidin-1-yl]-4,4,4-tris(fluoranyl)butan-1-one
Systematic Name (OpenEye OEToolkits)	1-[(3~{R})-3-azanylpiperidin-1-yl]-4,4,4-tris(fluoranyl)butan-1-one
Formula	C₉ H₁₅ F₃ N₂ O
Molecular Weight	224.223
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	N[CH]1CCCN(C1)C(=O)CCC(F)(F)F
SMILES	OpenEye OEToolkits	2.0.6	C1CC(CN(C1)C(=O)CCC(F)(F)F)N
Canonical SMILES	CACTVS	3.385	N[C@@H]1CCCN(C1)C(=O)CCC(F)(F)F
Canonical SMILES	OpenEye OEToolkits	2.0.6	C1C[C@H](CN(C1)C(=O)CCC(F)(F)F)N
InChI	InChI	1.03	InChI=1S/C9H15F3N2O/c10-9(11,12)4-3-8(15)14-5-1-2-7(13)6-14/h7H,1-6,13H2/t7-/m1/s1
InChIKey	InChI	1.03	GPYQCFFYXYYNET-SSDOTTSWSA-N

Related Resource References

Resource Name	Reference
PubChem	102978512

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