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

C27H30F4N2O — CID 11202309

IUPAC8-[1-(4-fluorophenyl)cyclohexyl]-4-[4-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1NCC(c2ccc(C(F)(F)F)cc2)C12CCN(C1(c3ccc(F)cc3)CCCCC1)CC2
InChIInChI=1S/C27H30F4N2O/c28-22-10-8-20(9-11-22)26(12-2-1-3-13-26)33-16-14-25(15-17-33)23(18-32-24(25)34)19-4-6-21(7-5-19)27(29,30)31/h4-11,23H,1-3,12-18H2,(H,32,34)
InChIKeyFTOXYKIABNPIDL-UHFFFAOYSA-N
MW474.54 g/mol
LogP6.00
Rot. Bonds3

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

8-[1-(4-fluorophenyl)cyclohexyl]-4-[4-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 11202309) has the molecular formula C27H30F4N2O and a molecular weight of 474.54 g/mol. Its IUPAC name is 8-[1-(4-fluorophenyl)cyclohexyl]-4-[4-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-[1-(4-fluorophenyl)cyclohexyl]-4-[4-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID11202309
Molecular FormulaC27H30F4N2O
Molecular Weight474.54 g/mol
Exact Mass474.23
IUPAC Name8-[1-(4-fluorophenyl)cyclohexyl]-4-[4-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1NCC(c2ccc(C(F)(F)F)cc2)C12CCN(C1(c3ccc(F)cc3)CCCCC1)CC2
InChIInChI=1S/C27H30F4N2O/c28-22-10-8-20(9-11-22)26(12-2-1-3-13-26)33-16-14-25(15-17-33)23(18-32-24(25)34)19-4-6-21(7-5-19)27(29,30)31/h4-11,23H,1-3,12-18H2,(H,32,34)
InChIKeyFTOXYKIABNPIDL-UHFFFAOYSA-N
XLogP6.00
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 ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-[1-(4-fluorophenyl)cyclohexyl]-4-[4-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-[1-(4-fluorophenyl)cyclohexyl]-4-[4-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decan-1-one (CID 11202309) is 8-[1-(4-fluorophenyl)cyclohexyl]-4-[4-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-[1-(4-fluorophenyl)cyclohexyl]-4-[4-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-[1-(4-fluorophenyl)cyclohexyl]-4-[4-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decan-1-one is O=C1NCC(c2ccc(C(F)(F)F)cc2)C12CCN(C1(c3ccc(F)cc3)CCCCC1)CC2.
What is the InChIKey of 8-[1-(4-fluorophenyl)cyclohexyl]-4-[4-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is FTOXYKIABNPIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30F4N2O/c28-22-10-8-20(9-11-22)26(12-2-1-3-13-26)33-16-14-25(15-17-33)23(18-32-24(25)34)19-4-6-21(7-5-19)27(29,30)31/h4-11,23H,1-3,12-18H2,(H,32,34).
What are the key properties of 8-[1-(4-fluorophenyl)cyclohexyl]-4-[4-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decan-1-one?
8-[1-(4-fluorophenyl)cyclohexyl]-4-[4-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 474.54 g/mol, XLogP of 6.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(4-fluorophenyl)cyclohexyl]-4-[4-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 11202309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).