4-(4-fluorophenyl)-8-[1-(4-fluorophenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one;hydrofluoride

C26H31F3N2O — CID 45263403

IUPAC4-(4-fluorophenyl)-8-[1-(4-fluorophenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one;hydrofluoride
SMILESF.O=C1NCC(c2ccc(F)cc2)C12CCN(C1(c3ccc(F)cc3)CCCCC1)CC2
InChIInChI=1S/C26H30F2N2O.FH/c27-21-8-4-19(5-9-21)23-18-29-24(31)25(23)14-16-30(17-15-25)26(12-2-1-3-13-26)20-6-10-22(28)11-7-20;/h4-11,23H,1-3,12-18H2,(H,29,31);1H
InChIKeyCNGFCYGOJBXWEB-UHFFFAOYSA-N
MW444.54 g/mol
LogP5.27
Rot. Bonds3

About 4-(4-fluorophenyl)-8-[1-(4-fluorophenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one;hydrofluoride

4-(4-fluorophenyl)-8-[1-(4-fluorophenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one;hydrofluoride (PubChem CID 45263403) has the molecular formula C26H31F3N2O and a molecular weight of 444.54 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-8-[1-(4-fluorophenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one;hydrofluoride.

Molecular Properties

Compound Name4-(4-fluorophenyl)-8-[1-(4-fluorophenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one;hydrofluoride
PubChem CID45263403
Molecular FormulaC26H31F3N2O
Molecular Weight444.54 g/mol
Exact Mass444.24
IUPAC Name4-(4-fluorophenyl)-8-[1-(4-fluorophenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one;hydrofluoride
SMILESF.O=C1NCC(c2ccc(F)cc2)C12CCN(C1(c3ccc(F)cc3)CCCCC1)CC2
InChIInChI=1S/C26H30F2N2O.FH/c27-21-8-4-19(5-9-21)23-18-29-24(31)25(23)14-16-30(17-15-25)26(12-2-1-3-13-26)20-6-10-22(28)11-7-20;/h4-11,23H,1-3,12-18H2,(H,29,31);1H
InChIKeyCNGFCYGOJBXWEB-UHFFFAOYSA-N
XLogP5.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.54
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(4-fluorophenyl)-8-[1-(4-fluorophenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one;hydrofluoride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-8-[1-(4-fluorophenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one;hydrofluoride?
The IUPAC name of 4-(4-fluorophenyl)-8-[1-(4-fluorophenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one;hydrofluoride (CID 45263403) is 4-(4-fluorophenyl)-8-[1-(4-fluorophenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one;hydrofluoride.
What is the SMILES notation for 4-(4-fluorophenyl)-8-[1-(4-fluorophenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one;hydrofluoride?
The canonical SMILES for 4-(4-fluorophenyl)-8-[1-(4-fluorophenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one;hydrofluoride is F.O=C1NCC(c2ccc(F)cc2)C12CCN(C1(c3ccc(F)cc3)CCCCC1)CC2.
What is the InChIKey of 4-(4-fluorophenyl)-8-[1-(4-fluorophenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one;hydrofluoride?
The InChIKey is CNGFCYGOJBXWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F2N2O.FH/c27-21-8-4-19(5-9-21)23-18-29-24(31)25(23)14-16-30(17-15-25)26(12-2-1-3-13-26)20-6-10-22(28)11-7-20;/h4-11,23H,1-3,12-18H2,(H,29,31);1H.
What are the key properties of 4-(4-fluorophenyl)-8-[1-(4-fluorophenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one;hydrofluoride?
4-(4-fluorophenyl)-8-[1-(4-fluorophenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one;hydrofluoride has a molecular weight of 444.54 g/mol, XLogP of 5.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-8-[1-(4-fluorophenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one;hydrofluoride is sourced from PubChem (CID 45263403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).