6-(trifluoromethyl)-2,8-diazaspiro[4.5]decan-1-one

C9H13F3N2O — CID 118395133

IUPAC6-(trifluoromethyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1NCCC12CCNCC2C(F)(F)F
InChIInChI=1S/C9H13F3N2O/c10-9(11,12)6-5-13-3-1-8(6)2-4-14-7(8)15/h6,13H,1-5H2,(H,14,15)
InChIKeyFYSMDJJZFHGHBE-UHFFFAOYSA-N
MW222.21 g/mol
LogP0.66
Rot. Bonds

About 6-(trifluoromethyl)-2,8-diazaspiro[4.5]decan-1-one

6-(trifluoromethyl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 118395133) has the molecular formula C9H13F3N2O and a molecular weight of 222.21 g/mol. Its IUPAC name is 6-(trifluoromethyl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name6-(trifluoromethyl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID118395133
Molecular FormulaC9H13F3N2O
Molecular Weight222.21 g/mol
Exact Mass222.10
IUPAC Name6-(trifluoromethyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1NCCC12CCNCC2C(F)(F)F
InChIInChI=1S/C9H13F3N2O/c10-9(11,12)6-5-13-3-1-8(6)2-4-14-7(8)15/h6,13H,1-5H2,(H,14,15)
InChIKeyFYSMDJJZFHGHBE-UHFFFAOYSA-N
XLogP0.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 6-(trifluoromethyl)-2,8-diazaspiro[4.5]decan-1-one (CID 118395133) is 6-(trifluoromethyl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 6-(trifluoromethyl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 6-(trifluoromethyl)-2,8-diazaspiro[4.5]decan-1-one is O=C1NCCC12CCNCC2C(F)(F)F.
What is the InChIKey of 6-(trifluoromethyl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is FYSMDJJZFHGHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O/c10-9(11,12)6-5-13-3-1-8(6)2-4-14-7(8)15/h6,13H,1-5H2,(H,14,15).
What are the key properties of 6-(trifluoromethyl)-2,8-diazaspiro[4.5]decan-1-one?
6-(trifluoromethyl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 222.21 g/mol, XLogP of 0.66, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 118395133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).