[(6S)-6-[5-(9,9-difluorofluoren-2-yl)-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]phosphane

C22H20F2N3P — CID 130280422

About [(6S)-6-[5-(9,9-difluorofluoren-2-yl)-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]phosphane

[(6S)-6-[5-(9,9-difluorofluoren-2-yl)-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]phosphane (PubChem CID 130280422) has the molecular formula C22H20F2N3P and a molecular weight of 395.39 g/mol. Its IUPAC name is [(6S)-6-[5-(9,9-difluorofluoren-2-yl)-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]phosphane.

Molecular Properties

• Compound Name: [(6S)-6-[5-(9,9-difluorofluoren-2-yl)-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]phosphane
• PubChem CID: 130280422
• Molecular Formula: C22H20F2N3P
• Molecular Weight: 395.39 g/mol
• Exact Mass: 395.14
• IUPAC Name: [(6S)-6-[5-(9,9-difluorofluoren-2-yl)-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]phosphane
• SMILES: FC1(F)c2ccccc2-c2ccc(-c3cnc([C@@H]4CC5(CC5)CN4P)[nH]3)cc21
• InChI: InChI=1S/C22H20F2N3P/c23-22(24)16-4-2-1-3-14(16)15-6-5-13(9-17(15)22)18-11-25-20(26-18)19-10-21(7-8-21)12-27(19)28/h1-6,9,11,19H,7-8,10,12,28H2,(H,25,26)/t19-/m0/s1
• InChIKey: KHWGCUHQTATSMV-IBGZPJMESA-N
• XLogP: 5.51
• TPSA: 31.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	395.39
LogP ≤ 5	5.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(6S)-6-[5-(9,9-difluorofluoren-2-yl)-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]phosphane?

The IUPAC name of [(6S)-6-[5-(9,9-difluorofluoren-2-yl)-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]phosphane (CID 130280422) is [(6S)-6-[5-(9,9-difluorofluoren-2-yl)-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]phosphane.

What is the SMILES notation for [(6S)-6-[5-(9,9-difluorofluoren-2-yl)-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]phosphane?

The canonical SMILES for [(6S)-6-[5-(9,9-difluorofluoren-2-yl)-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]phosphane is FC1(F)c2ccccc2-c2ccc(-c3cnc([C@@H]4CC5(CC5)CN4P)[nH]3)cc21.

What is the InChIKey of [(6S)-6-[5-(9,9-difluorofluoren-2-yl)-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]phosphane?

The InChIKey is KHWGCUHQTATSMV-IBGZPJMESA-N. The full InChI is InChI=1S/C22H20F2N3P/c23-22(24)16-4-2-1-3-14(16)15-6-5-13(9-17(15)22)18-11-25-20(26-18)19-10-21(7-8-21)12-27(19)28/h1-6,9,11,19H,7-8,10,12,28H2,(H,25,26)/t19-/m0/s1.

What are the key properties of [(6S)-6-[5-(9,9-difluorofluoren-2-yl)-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]phosphane?

[(6S)-6-[5-(9,9-difluorofluoren-2-yl)-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]phosphane has a molecular weight of 395.39 g/mol, XLogP of 5.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [(6S)-6-[5-(9,9-difluorofluoren-2-yl)-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]phosphane is sourced from PubChem (CID 130280422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).