8-methyl-3-(trifluoromethyl)-2-oxa-8-azaspiro[4.5]decan-1-one

C10H14F3NO2 — CID 162560219

IUPAC8-methyl-3-(trifluoromethyl)-2-oxa-8-azaspiro[4.5]decan-1-one
SMILESCN1CCC2(CC1)CC(C(F)(F)F)OC2=O
InChIInChI=1S/C10H14F3NO2/c1-14-4-2-9(3-5-14)6-7(10(11,12)13)16-8(9)15/h7H,2-6H2,1H3
InChIKeyLTSUPELIJBBNBM-UHFFFAOYSA-N
MW237.22 g/mol
LogP1.58
Rot. Bonds

About 8-methyl-3-(trifluoromethyl)-2-oxa-8-azaspiro[4.5]decan-1-one

8-methyl-3-(trifluoromethyl)-2-oxa-8-azaspiro[4.5]decan-1-one (PubChem CID 162560219) has the molecular formula C10H14F3NO2 and a molecular weight of 237.22 g/mol. Its IUPAC name is 8-methyl-3-(trifluoromethyl)-2-oxa-8-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-methyl-3-(trifluoromethyl)-2-oxa-8-azaspiro[4.5]decan-1-one
PubChem CID162560219
Molecular FormulaC10H14F3NO2
Molecular Weight237.22 g/mol
Exact Mass237.10
IUPAC Name8-methyl-3-(trifluoromethyl)-2-oxa-8-azaspiro[4.5]decan-1-one
SMILESCN1CCC2(CC1)CC(C(F)(F)F)OC2=O
InChIInChI=1S/C10H14F3NO2/c1-14-4-2-9(3-5-14)6-7(10(11,12)13)16-8(9)15/h7H,2-6H2,1H3
InChIKeyLTSUPELIJBBNBM-UHFFFAOYSA-N
XLogP1.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-(trifluoromethyl)-2-oxa-8-azaspiro[4.5]decan-1-one?
The IUPAC name of 8-methyl-3-(trifluoromethyl)-2-oxa-8-azaspiro[4.5]decan-1-one (CID 162560219) is 8-methyl-3-(trifluoromethyl)-2-oxa-8-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-methyl-3-(trifluoromethyl)-2-oxa-8-azaspiro[4.5]decan-1-one?
The canonical SMILES for 8-methyl-3-(trifluoromethyl)-2-oxa-8-azaspiro[4.5]decan-1-one is CN1CCC2(CC1)CC(C(F)(F)F)OC2=O.
What is the InChIKey of 8-methyl-3-(trifluoromethyl)-2-oxa-8-azaspiro[4.5]decan-1-one?
The InChIKey is LTSUPELIJBBNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO2/c1-14-4-2-9(3-5-14)6-7(10(11,12)13)16-8(9)15/h7H,2-6H2,1H3.
What are the key properties of 8-methyl-3-(trifluoromethyl)-2-oxa-8-azaspiro[4.5]decan-1-one?
8-methyl-3-(trifluoromethyl)-2-oxa-8-azaspiro[4.5]decan-1-one has a molecular weight of 237.22 g/mol, XLogP of 1.58, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-(trifluoromethyl)-2-oxa-8-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 162560219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).