7-(cyclohexylmethyl)-2-(4,4,4-trifluorobutyl)-2,7-diazaspiro[4.5]decan-6-one

C19H31F3N2O — CID 45179572

IUPAC7-(cyclohexylmethyl)-2-(4,4,4-trifluorobutyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C1N(CC2CCCCC2)CCCC12CCN(CCCC(F)(F)F)C2
InChIInChI=1S/C19H31F3N2O/c20-19(21,22)9-5-11-23-13-10-18(15-23)8-4-12-24(17(18)25)14-16-6-2-1-3-7-16/h16H,1-15H2
InChIKeyXNTYHCONZOUAJS-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.22
Rot. Bonds5

About 7-(cyclohexylmethyl)-2-(4,4,4-trifluorobutyl)-2,7-diazaspiro[4.5]decan-6-one

7-(cyclohexylmethyl)-2-(4,4,4-trifluorobutyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 45179572) has the molecular formula C19H31F3N2O and a molecular weight of 360.46 g/mol. Its IUPAC name is 7-(cyclohexylmethyl)-2-(4,4,4-trifluorobutyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-(cyclohexylmethyl)-2-(4,4,4-trifluorobutyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID45179572
Molecular FormulaC19H31F3N2O
Molecular Weight360.46 g/mol
Exact Mass360.24
IUPAC Name7-(cyclohexylmethyl)-2-(4,4,4-trifluorobutyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C1N(CC2CCCCC2)CCCC12CCN(CCCC(F)(F)F)C2
InChIInChI=1S/C19H31F3N2O/c20-19(21,22)9-5-11-23-13-10-18(15-23)8-4-12-24(17(18)25)14-16-6-2-1-3-7-16/h16H,1-15H2
InChIKeyXNTYHCONZOUAJS-UHFFFAOYSA-N
XLogP4.22
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclohexylmethyl)-2-(4,4,4-trifluorobutyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-(cyclohexylmethyl)-2-(4,4,4-trifluorobutyl)-2,7-diazaspiro[4.5]decan-6-one (CID 45179572) is 7-(cyclohexylmethyl)-2-(4,4,4-trifluorobutyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-(cyclohexylmethyl)-2-(4,4,4-trifluorobutyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-(cyclohexylmethyl)-2-(4,4,4-trifluorobutyl)-2,7-diazaspiro[4.5]decan-6-one is O=C1N(CC2CCCCC2)CCCC12CCN(CCCC(F)(F)F)C2.
What is the InChIKey of 7-(cyclohexylmethyl)-2-(4,4,4-trifluorobutyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is XNTYHCONZOUAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31F3N2O/c20-19(21,22)9-5-11-23-13-10-18(15-23)8-4-12-24(17(18)25)14-16-6-2-1-3-7-16/h16H,1-15H2.
What are the key properties of 7-(cyclohexylmethyl)-2-(4,4,4-trifluorobutyl)-2,7-diazaspiro[4.5]decan-6-one?
7-(cyclohexylmethyl)-2-(4,4,4-trifluorobutyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 360.46 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclohexylmethyl)-2-(4,4,4-trifluorobutyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 45179572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).