1-(2,7-diazaspiro[4.5]decan-7-yl)-4,4,4-trifluorobutan-1-one

C12H19F3N2O — CID 56742661

IUPAC1-(2,7-diazaspiro[4.5]decan-7-yl)-4,4,4-trifluorobutan-1-one
SMILESO=C(CCC(F)(F)F)N1CCCC2(CCNC2)C1
InChIInChI=1S/C12H19F3N2O/c13-12(14,15)4-2-10(18)17-7-1-3-11(9-17)5-6-16-8-11/h16H,1-9H2
InChIKeyYAKZIUQWVVAQCF-UHFFFAOYSA-N
MW264.29 g/mol
LogP1.93
Rot. Bonds2

About 1-(2,7-diazaspiro[4.5]decan-7-yl)-4,4,4-trifluorobutan-1-one

1-(2,7-diazaspiro[4.5]decan-7-yl)-4,4,4-trifluorobutan-1-one (PubChem CID 56742661) has the molecular formula C12H19F3N2O and a molecular weight of 264.29 g/mol. Its IUPAC name is 1-(2,7-diazaspiro[4.5]decan-7-yl)-4,4,4-trifluorobutan-1-one.

Molecular Properties

Compound Name1-(2,7-diazaspiro[4.5]decan-7-yl)-4,4,4-trifluorobutan-1-one
PubChem CID56742661
Molecular FormulaC12H19F3N2O
Molecular Weight264.29 g/mol
Exact Mass264.14
IUPAC Name1-(2,7-diazaspiro[4.5]decan-7-yl)-4,4,4-trifluorobutan-1-one
SMILESO=C(CCC(F)(F)F)N1CCCC2(CCNC2)C1
InChIInChI=1S/C12H19F3N2O/c13-12(14,15)4-2-10(18)17-7-1-3-11(9-17)5-6-16-8-11/h16H,1-9H2
InChIKeyYAKZIUQWVVAQCF-UHFFFAOYSA-N
XLogP1.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,7-diazaspiro[4.5]decan-7-yl)-4,4,4-trifluorobutan-1-one?
The IUPAC name of 1-(2,7-diazaspiro[4.5]decan-7-yl)-4,4,4-trifluorobutan-1-one (CID 56742661) is 1-(2,7-diazaspiro[4.5]decan-7-yl)-4,4,4-trifluorobutan-1-one.
What is the SMILES notation for 1-(2,7-diazaspiro[4.5]decan-7-yl)-4,4,4-trifluorobutan-1-one?
The canonical SMILES for 1-(2,7-diazaspiro[4.5]decan-7-yl)-4,4,4-trifluorobutan-1-one is O=C(CCC(F)(F)F)N1CCCC2(CCNC2)C1.
What is the InChIKey of 1-(2,7-diazaspiro[4.5]decan-7-yl)-4,4,4-trifluorobutan-1-one?
The InChIKey is YAKZIUQWVVAQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O/c13-12(14,15)4-2-10(18)17-7-1-3-11(9-17)5-6-16-8-11/h16H,1-9H2.
What are the key properties of 1-(2,7-diazaspiro[4.5]decan-7-yl)-4,4,4-trifluorobutan-1-one?
1-(2,7-diazaspiro[4.5]decan-7-yl)-4,4,4-trifluorobutan-1-one has a molecular weight of 264.29 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,7-diazaspiro[4.5]decan-7-yl)-4,4,4-trifluorobutan-1-one is sourced from PubChem (CID 56742661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).