1-(2,8-diazaspiro[4.5]decan-8-yl)-2,2,2-trifluoroethanone

C10H15F3N2O — CID 59505239

IUPAC1-(2,8-diazaspiro[4.5]decan-8-yl)-2,2,2-trifluoroethanone
SMILESO=C(N1CCC2(CCNC2)CC1)C(F)(F)F
InChIInChI=1S/C10H15F3N2O/c11-10(12,13)8(16)15-5-2-9(3-6-15)1-4-14-7-9/h14H,1-7H2
InChIKeyVUBRQLCJZQKQTB-UHFFFAOYSA-N
MW236.24 g/mol
LogP1.15
Rot. Bonds

About 1-(2,8-diazaspiro[4.5]decan-8-yl)-2,2,2-trifluoroethanone

1-(2,8-diazaspiro[4.5]decan-8-yl)-2,2,2-trifluoroethanone (PubChem CID 59505239) has the molecular formula C10H15F3N2O and a molecular weight of 236.24 g/mol. Its IUPAC name is 1-(2,8-diazaspiro[4.5]decan-8-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(2,8-diazaspiro[4.5]decan-8-yl)-2,2,2-trifluoroethanone
PubChem CID59505239
Molecular FormulaC10H15F3N2O
Molecular Weight236.24 g/mol
Exact Mass236.11
IUPAC Name1-(2,8-diazaspiro[4.5]decan-8-yl)-2,2,2-trifluoroethanone
SMILESO=C(N1CCC2(CCNC2)CC1)C(F)(F)F
InChIInChI=1S/C10H15F3N2O/c11-10(12,13)8(16)15-5-2-9(3-6-15)1-4-14-7-9/h14H,1-7H2
InChIKeyVUBRQLCJZQKQTB-UHFFFAOYSA-N
XLogP1.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,8-diazaspiro[4.5]decan-8-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(2,8-diazaspiro[4.5]decan-8-yl)-2,2,2-trifluoroethanone (CID 59505239) is 1-(2,8-diazaspiro[4.5]decan-8-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(2,8-diazaspiro[4.5]decan-8-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(2,8-diazaspiro[4.5]decan-8-yl)-2,2,2-trifluoroethanone is O=C(N1CCC2(CCNC2)CC1)C(F)(F)F.
What is the InChIKey of 1-(2,8-diazaspiro[4.5]decan-8-yl)-2,2,2-trifluoroethanone?
The InChIKey is VUBRQLCJZQKQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O/c11-10(12,13)8(16)15-5-2-9(3-6-15)1-4-14-7-9/h14H,1-7H2.
What are the key properties of 1-(2,8-diazaspiro[4.5]decan-8-yl)-2,2,2-trifluoroethanone?
1-(2,8-diazaspiro[4.5]decan-8-yl)-2,2,2-trifluoroethanone has a molecular weight of 236.24 g/mol, XLogP of 1.15, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,8-diazaspiro[4.5]decan-8-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 59505239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).