1-(2-methylpropyl)-7-(trifluoromethyl)-2-azaspiro[4.5]decan-3-one

C14H22F3NO — CID 66108537

IUPAC1-(2-methylpropyl)-7-(trifluoromethyl)-2-azaspiro[4.5]decan-3-one
SMILESCC(C)CC1NC(=O)CC12CCCC(C(F)(F)F)C2
InChIInChI=1S/C14H22F3NO/c1-9(2)6-11-13(8-12(19)18-11)5-3-4-10(7-13)14(15,16)17/h9-11H,3-8H2,1-2H3,(H,18,19)
InChIKeyFFGNGEOTIGDJKN-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.66
Rot. Bonds2

About 1-(2-methylpropyl)-7-(trifluoromethyl)-2-azaspiro[4.5]decan-3-one

1-(2-methylpropyl)-7-(trifluoromethyl)-2-azaspiro[4.5]decan-3-one (PubChem CID 66108537) has the molecular formula C14H22F3NO and a molecular weight of 277.33 g/mol. Its IUPAC name is 1-(2-methylpropyl)-7-(trifluoromethyl)-2-azaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name1-(2-methylpropyl)-7-(trifluoromethyl)-2-azaspiro[4.5]decan-3-one
PubChem CID66108537
Molecular FormulaC14H22F3NO
Molecular Weight277.33 g/mol
Exact Mass277.17
IUPAC Name1-(2-methylpropyl)-7-(trifluoromethyl)-2-azaspiro[4.5]decan-3-one
SMILESCC(C)CC1NC(=O)CC12CCCC(C(F)(F)F)C2
InChIInChI=1S/C14H22F3NO/c1-9(2)6-11-13(8-12(19)18-11)5-3-4-10(7-13)14(15,16)17/h9-11H,3-8H2,1-2H3,(H,18,19)
InChIKeyFFGNGEOTIGDJKN-UHFFFAOYSA-N
XLogP3.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-7-(trifluoromethyl)-2-azaspiro[4.5]decan-3-one?
The IUPAC name of 1-(2-methylpropyl)-7-(trifluoromethyl)-2-azaspiro[4.5]decan-3-one (CID 66108537) is 1-(2-methylpropyl)-7-(trifluoromethyl)-2-azaspiro[4.5]decan-3-one.
What is the SMILES notation for 1-(2-methylpropyl)-7-(trifluoromethyl)-2-azaspiro[4.5]decan-3-one?
The canonical SMILES for 1-(2-methylpropyl)-7-(trifluoromethyl)-2-azaspiro[4.5]decan-3-one is CC(C)CC1NC(=O)CC12CCCC(C(F)(F)F)C2.
What is the InChIKey of 1-(2-methylpropyl)-7-(trifluoromethyl)-2-azaspiro[4.5]decan-3-one?
The InChIKey is FFGNGEOTIGDJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3NO/c1-9(2)6-11-13(8-12(19)18-11)5-3-4-10(7-13)14(15,16)17/h9-11H,3-8H2,1-2H3,(H,18,19).
What are the key properties of 1-(2-methylpropyl)-7-(trifluoromethyl)-2-azaspiro[4.5]decan-3-one?
1-(2-methylpropyl)-7-(trifluoromethyl)-2-azaspiro[4.5]decan-3-one has a molecular weight of 277.33 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-7-(trifluoromethyl)-2-azaspiro[4.5]decan-3-one is sourced from PubChem (CID 66108537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).