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

C27H30F4N2O — CID 11363500

IUPAC4-(4-fluorophenyl)-8-[2-[4-(trifluoromethyl)phenyl]cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1NCC(c2ccc(F)cc2)C12CCN(C1CCCCC1c1ccc(C(F)(F)F)cc1)CC2
InChIInChI=1S/C27H30F4N2O/c28-21-11-7-19(8-12-21)23-17-32-25(34)26(23)13-15-33(16-14-26)24-4-2-1-3-22(24)18-5-9-20(10-6-18)27(29,30)31/h5-12,22-24H,1-4,13-17H2,(H,32,34)
InChIKeyPVOQECFBMXMROP-UHFFFAOYSA-N
MW474.54 g/mol
LogP5.87
Rot. Bonds3

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

4-(4-fluorophenyl)-8-[2-[4-(trifluoromethyl)phenyl]cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 11363500) has the molecular formula C27H30F4N2O and a molecular weight of 474.54 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-8-[2-[4-(trifluoromethyl)phenyl]cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-8-[2-[4-(trifluoromethyl)phenyl]cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID11363500
Molecular FormulaC27H30F4N2O
Molecular Weight474.54 g/mol
Exact Mass474.23
IUPAC Name4-(4-fluorophenyl)-8-[2-[4-(trifluoromethyl)phenyl]cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1NCC(c2ccc(F)cc2)C12CCN(C1CCCCC1c1ccc(C(F)(F)F)cc1)CC2
InChIInChI=1S/C27H30F4N2O/c28-21-11-7-19(8-12-21)23-17-32-25(34)26(23)13-15-33(16-14-26)24-4-2-1-3-22(24)18-5-9-20(10-6-18)27(29,30)31/h5-12,22-24H,1-4,13-17H2,(H,32,34)
InChIKeyPVOQECFBMXMROP-UHFFFAOYSA-N
XLogP5.87
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.54
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-8-[2-[4-(trifluoromethyl)phenyl]cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 4-(4-fluorophenyl)-8-[2-[4-(trifluoromethyl)phenyl]cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one (CID 11363500) is 4-(4-fluorophenyl)-8-[2-[4-(trifluoromethyl)phenyl]cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 4-(4-fluorophenyl)-8-[2-[4-(trifluoromethyl)phenyl]cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 4-(4-fluorophenyl)-8-[2-[4-(trifluoromethyl)phenyl]cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one is O=C1NCC(c2ccc(F)cc2)C12CCN(C1CCCCC1c1ccc(C(F)(F)F)cc1)CC2.
What is the InChIKey of 4-(4-fluorophenyl)-8-[2-[4-(trifluoromethyl)phenyl]cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is PVOQECFBMXMROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30F4N2O/c28-21-11-7-19(8-12-21)23-17-32-25(34)26(23)13-15-33(16-14-26)24-4-2-1-3-22(24)18-5-9-20(10-6-18)27(29,30)31/h5-12,22-24H,1-4,13-17H2,(H,32,34).
What are the key properties of 4-(4-fluorophenyl)-8-[2-[4-(trifluoromethyl)phenyl]cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one?
4-(4-fluorophenyl)-8-[2-[4-(trifluoromethyl)phenyl]cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 474.54 g/mol, XLogP of 5.87, 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-[2-[4-(trifluoromethyl)phenyl]cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 11363500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).