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

C22H20F2N3P — CID 130280422

IUPAC[(6S)-6-[5-(9,9-difluorofluoren-2-yl)-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]phosphane
SMILESFC1(F)c2ccccc2-c2ccc(-c3cnc([C@@H]4CC5(CC5)CN4P)[nH]3)cc21
InChIInChI=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
InChIKeyKHWGCUHQTATSMV-IBGZPJMESA-N
MW395.39 g/mol
LogP5.51
Rot. Bonds2

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 CID130280422
Molecular FormulaC22H20F2N3P
Molecular Weight395.39 g/mol
Exact Mass395.14
IUPAC Name[(6S)-6-[5-(9,9-difluorofluoren-2-yl)-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]phosphane
SMILESFC1(F)c2ccccc2-c2ccc(-c3cnc([C@@H]4CC5(CC5)CN4P)[nH]3)cc21
InChIInChI=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
InChIKeyKHWGCUHQTATSMV-IBGZPJMESA-N
XLogP5.51
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.39
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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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).