3,3-difluoro-5-propan-2-ylpiperidin-1-ide;(5R)-3,3-difluoro-5-propan-2-ylpiperidin-1-ide;(5S)-3,3-difluoro-5-propan-2-ylpiperidin-1-ide;2-methyl-5-propan-2-ylpiperidin-1-ide;(2S,5S)-2-methyl-5-propan-2-ylpiperidin-1-ide;(2R,5S)-2-methyl-5-propan-2-ylpiperidin-1-ide;bis((2S,5R)-2-methyl-5-propan-2-ylpiperidin-1-ide);propane;octakis(yttrium)

C93H188F6N8Y8-16 — CID 161421397

About 3,3-difluoro-5-propan-2-ylpiperidin-1-ide;(5R)-3,3-difluoro-5-propan-2-ylpiperidin-1-ide;(5S)-3,3-difluoro-5-propan-2-ylpiperidin-1-ide;2-methyl-5-propan-2-ylpiperidin-1-ide;(2S,5S)-2-methyl-5-propan-2-ylpiperidin-1-ide;(2R,5S)-2-methyl-5-propan-2-ylpiperidin-1-ide;bis((2S,5R)-2-methyl-5-propan-2-ylpiperidin-1-ide);propane;octakis(yttrium)

3,3-difluoro-5-propan-2-ylpiperidin-1-ide;(5R)-3,3-difluoro-5-propan-2-ylpiperidin-1-ide;(5S)-3,3-difluoro-5-propan-2-ylpiperidin-1-ide;2-methyl-5-propan-2-ylpiperidin-1-ide;(2S,5S)-2-methyl-5-propan-2-ylpiperidin-1-ide;(2R,5S)-2-methyl-5-propan-2-ylpiperidin-1-ide;bis((2S,5R)-2-methyl-5-propan-2-ylpiperidin-1-ide);propane;octakis(yttrium) (PubChem CID 161421397) has the molecular formula C93H188F6N8Y8-16 and a molecular weight of 2243.82 g/mol. Its IUPAC name is 3,3-difluoro-5-propan-2-ylpiperidin-1-ide;(5R)-3,3-difluoro-5-propan-2-ylpiperidin-1-ide;(5S)-3,3-difluoro-5-propan-2-ylpiperidin-1-ide;2-methyl-5-propan-2-ylpiperidin-1-ide;(2S,5S)-2-methyl-5-propan-2-ylpiperidin-1-ide;(2R,5S)-2-methyl-5-propan-2-ylpiperidin-1-ide;bis((2S,5R)-2-methyl-5-propan-2-ylpiperidin-1-ide);propane;octakis(yttrium).

Molecular Properties

• Compound Name: 3,3-difluoro-5-propan-2-ylpiperidin-1-ide;(5R)-3,3-difluoro-5-propan-2-ylpiperidin-1-ide;(5S)-3,3-difluoro-5-propan-2-ylpiperidin-1-ide;2-methyl-5-propan-2-ylpiperidin-1-ide;(2S,5S)-2-methyl-5-propan-2-ylpiperidin-1-ide;(2R,5S)-2-methyl-5-propan-2-ylpiperidin-1-ide;bis((2S,5R)-2-methyl-5-propan-2-ylpiperidin-1-ide);propane;octakis(yttrium)
• PubChem CID: 161421397
• Molecular Formula: C93H188F6N8Y8-16
• Molecular Weight: 2243.82 g/mol
• Exact Mass: 2242.74
• IUPAC Name: 3,3-difluoro-5-propan-2-ylpiperidin-1-ide;(5R)-3,3-difluoro-5-propan-2-ylpiperidin-1-ide;(5S)-3,3-difluoro-5-propan-2-ylpiperidin-1-ide;2-methyl-5-propan-2-ylpiperidin-1-ide;(2S,5S)-2-methyl-5-propan-2-ylpiperidin-1-ide;(2R,5S)-2-methyl-5-propan-2-ylpiperidin-1-ide;bis((2S,5R)-2-methyl-5-propan-2-ylpiperidin-1-ide);propane;octakis(yttrium)
• SMILES: CC(C)C1C[N-]CC(F)(F)C1.CC(C)[C@@H]1CC[C@@H](C)[N-]C1.CC(C)[C@@H]1CC[C@H](C)[N-]C1.CC(C)[C@@H]1C[N-]CC(F)(F)C1.CC(C)[C@H]1CC[C@H](C)[N-]C1.CC(C)[C@H]1CC[C@H](C)[N-]C1.CC(C)[C@H]1C[N-]CC(F)(F)C1.CC1CCC(C(C)C)C[N-]1.C[CH-]C.C[CH-]C.C[CH-]C.C[CH-]C.C[CH-]C.C[CH-]C.C[CH-]C.C[CH-]C.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
• InChI: InChI=1S/5C9H18N.3C8H14F2N.8C3H7.8Y/c5*1-7(2)9-5-4-8(3)10-6-9;3*1-6(2)7-3-8(9,10)5-11-4-7;8*1-3-2;;;;;;;;/h5*7-9H,4-6H2,1-3H3;3*6-7H,3-5H2,1-2H3;8*3H,1-2H3;;;;;;;;/q16*-1;;;;;;;;/t8-,9+;3*8-,9-;;2*7-;;;;;;;;;;;;;;;;;/m0100.10................./s1
• InChIKey: HTYTZJCVACAMHV-UXKZIUPOSA-N
• XLogP: 31.91
• TPSA: 112.80 Ų
• Rotatable Bonds: 8
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2243.82
LogP ≤ 5	31.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-5-propan-2-ylpiperidin-1-ide;(5R)-3,3-difluoro-5-propan-2-ylpiperidin-1-ide;(5S)-3,3-difluoro-5-propan-2-ylpiperidin-1-ide;2-methyl-5-propan-2-ylpiperidin-1-ide;(2S,5S)-2-methyl-5-propan-2-ylpiperidin-1-ide;(2R,5S)-2-methyl-5-propan-2-ylpiperidin-1-ide;bis((2S,5R)-2-methyl-5-propan-2-ylpiperidin-1-ide);propane;octakis(yttrium)?

The IUPAC name of 3,3-difluoro-5-propan-2-ylpiperidin-1-ide;(5R)-3,3-difluoro-5-propan-2-ylpiperidin-1-ide;(5S)-3,3-difluoro-5-propan-2-ylpiperidin-1-ide;2-methyl-5-propan-2-ylpiperidin-1-ide;(2S,5S)-2-methyl-5-propan-2-ylpiperidin-1-ide;(2R,5S)-2-methyl-5-propan-2-ylpiperidin-1-ide;bis((2S,5R)-2-methyl-5-propan-2-ylpiperidin-1-ide);propane;octakis(yttrium) (CID 161421397) is 3,3-difluoro-5-propan-2-ylpiperidin-1-ide;(5R)-3,3-difluoro-5-propan-2-ylpiperidin-1-ide;(5S)-3,3-difluoro-5-propan-2-ylpiperidin-1-ide;2-methyl-5-propan-2-ylpiperidin-1-ide;(2S,5S)-2-methyl-5-propan-2-ylpiperidin-1-ide;(2R,5S)-2-methyl-5-propan-2-ylpiperidin-1-ide;bis((2S,5R)-2-methyl-5-propan-2-ylpiperidin-1-ide);propane;octakis(yttrium).

What is the SMILES notation for 3,3-difluoro-5-propan-2-ylpiperidin-1-ide;(5R)-3,3-difluoro-5-propan-2-ylpiperidin-1-ide;(5S)-3,3-difluoro-5-propan-2-ylpiperidin-1-ide;2-methyl-5-propan-2-ylpiperidin-1-ide;(2S,5S)-2-methyl-5-propan-2-ylpiperidin-1-ide;(2R,5S)-2-methyl-5-propan-2-ylpiperidin-1-ide;bis((2S,5R)-2-methyl-5-propan-2-ylpiperidin-1-ide);propane;octakis(yttrium)?

The canonical SMILES for 3,3-difluoro-5-propan-2-ylpiperidin-1-ide;(5R)-3,3-difluoro-5-propan-2-ylpiperidin-1-ide;(5S)-3,3-difluoro-5-propan-2-ylpiperidin-1-ide;2-methyl-5-propan-2-ylpiperidin-1-ide;(2S,5S)-2-methyl-5-propan-2-ylpiperidin-1-ide;(2R,5S)-2-methyl-5-propan-2-ylpiperidin-1-ide;bis((2S,5R)-2-methyl-5-propan-2-ylpiperidin-1-ide);propane;octakis(yttrium) is CC(C)C1C[N-]CC(F)(F)C1.CC(C)[C@@H]1CC[C@@H](C)[N-]C1.CC(C)[C@@H]1CC[C@H](C)[N-]C1.CC(C)[C@@H]1C[N-]CC(F)(F)C1.CC(C)[C@H]1CC[C@H](C)[N-]C1.CC(C)[C@H]1CC[C@H](C)[N-]C1.CC(C)[C@H]1C[N-]CC(F)(F)C1.CC1CCC(C(C)C)C[N-]1.C[CH-]C.C[CH-]C.C[CH-]C.C[CH-]C.C[CH-]C.C[CH-]C.C[CH-]C.C[CH-]C.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].

What is the InChIKey of 3,3-difluoro-5-propan-2-ylpiperidin-1-ide;(5R)-3,3-difluoro-5-propan-2-ylpiperidin-1-ide;(5S)-3,3-difluoro-5-propan-2-ylpiperidin-1-ide;2-methyl-5-propan-2-ylpiperidin-1-ide;(2S,5S)-2-methyl-5-propan-2-ylpiperidin-1-ide;(2R,5S)-2-methyl-5-propan-2-ylpiperidin-1-ide;bis((2S,5R)-2-methyl-5-propan-2-ylpiperidin-1-ide);propane;octakis(yttrium)?

The InChIKey is HTYTZJCVACAMHV-UXKZIUPOSA-N. The full InChI is InChI=1S/5C9H18N.3C8H14F2N.8C3H7.8Y/c5*1-7(2)9-5-4-8(3)10-6-9;3*1-6(2)7-3-8(9,10)5-11-4-7;8*1-3-2;;;;;;;;/h5*7-9H,4-6H2,1-3H3;3*6-7H,3-5H2,1-2H3;8*3H,1-2H3;;;;;;;;/q16*-1;;;;;;;;/t8-,9+;3*8-,9-;;2*7-;;;;;;;;;;;;;;;;;/m0100.10................./s1.

What are the key properties of 3,3-difluoro-5-propan-2-ylpiperidin-1-ide;(5R)-3,3-difluoro-5-propan-2-ylpiperidin-1-ide;(5S)-3,3-difluoro-5-propan-2-ylpiperidin-1-ide;2-methyl-5-propan-2-ylpiperidin-1-ide;(2S,5S)-2-methyl-5-propan-2-ylpiperidin-1-ide;(2R,5S)-2-methyl-5-propan-2-ylpiperidin-1-ide;bis((2S,5R)-2-methyl-5-propan-2-ylpiperidin-1-ide);propane;octakis(yttrium)?

3,3-difluoro-5-propan-2-ylpiperidin-1-ide;(5R)-3,3-difluoro-5-propan-2-ylpiperidin-1-ide;(5S)-3,3-difluoro-5-propan-2-ylpiperidin-1-ide;2-methyl-5-propan-2-ylpiperidin-1-ide;(2S,5S)-2-methyl-5-propan-2-ylpiperidin-1-ide;(2R,5S)-2-methyl-5-propan-2-ylpiperidin-1-ide;bis((2S,5R)-2-methyl-5-propan-2-ylpiperidin-1-ide);propane;octakis(yttrium) has a molecular weight of 2243.82 g/mol, XLogP of 31.91, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 3,3-difluoro-5-propan-2-ylpiperidin-1-ide;(5R)-3,3-difluoro-5-propan-2-ylpiperidin-1-ide;(5S)-3,3-difluoro-5-propan-2-ylpiperidin-1-ide;2-methyl-5-propan-2-ylpiperidin-1-ide;(2S,5S)-2-methyl-5-propan-2-ylpiperidin-1-ide;(2R,5S)-2-methyl-5-propan-2-ylpiperidin-1-ide;bis((2S,5R)-2-methyl-5-propan-2-ylpiperidin-1-ide);propane;octakis(yttrium) is sourced from PubChem (CID 161421397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).