9-[bis(4-fluorophenyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one

C22H24F2N2O — CID 118962963

IUPAC9-[bis(4-fluorophenyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one
SMILESO=C1NCCCC12CCN(C(c1ccc(F)cc1)c1ccc(F)cc1)CC2
InChIInChI=1S/C22H24F2N2O/c23-18-6-2-16(3-7-18)20(17-4-8-19(24)9-5-17)26-14-11-22(12-15-26)10-1-13-25-21(22)27/h2-9,20H,1,10-15H2,(H,25,27)
InChIKeyIOGQCHSSLWDKPE-UHFFFAOYSA-N
MW370.44 g/mol
LogP4.05
Rot. Bonds3

About 9-[bis(4-fluorophenyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one

9-[bis(4-fluorophenyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one (PubChem CID 118962963) has the molecular formula C22H24F2N2O and a molecular weight of 370.44 g/mol. Its IUPAC name is 9-[bis(4-fluorophenyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name9-[bis(4-fluorophenyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one
PubChem CID118962963
Molecular FormulaC22H24F2N2O
Molecular Weight370.44 g/mol
Exact Mass370.19
IUPAC Name9-[bis(4-fluorophenyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one
SMILESO=C1NCCCC12CCN(C(c1ccc(F)cc1)c1ccc(F)cc1)CC2
InChIInChI=1S/C22H24F2N2O/c23-18-6-2-16(3-7-18)20(17-4-8-19(24)9-5-17)26-14-11-22(12-15-26)10-1-13-25-21(22)27/h2-9,20H,1,10-15H2,(H,25,27)
InChIKeyIOGQCHSSLWDKPE-UHFFFAOYSA-N
XLogP4.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.44
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-[bis(4-fluorophenyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one?
The IUPAC name of 9-[bis(4-fluorophenyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one (CID 118962963) is 9-[bis(4-fluorophenyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for 9-[bis(4-fluorophenyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for 9-[bis(4-fluorophenyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one is O=C1NCCCC12CCN(C(c1ccc(F)cc1)c1ccc(F)cc1)CC2.
What is the InChIKey of 9-[bis(4-fluorophenyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one?
The InChIKey is IOGQCHSSLWDKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N2O/c23-18-6-2-16(3-7-18)20(17-4-8-19(24)9-5-17)26-14-11-22(12-15-26)10-1-13-25-21(22)27/h2-9,20H,1,10-15H2,(H,25,27).
What are the key properties of 9-[bis(4-fluorophenyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one?
9-[bis(4-fluorophenyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one has a molecular weight of 370.44 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[bis(4-fluorophenyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 118962963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).