(2S,3R)-2-methyl-3-(trifluoromethyl)-8-azaspiro[4.5]decan-4-one

C11H16F3NO — CID 154995486

IUPAC(2S,3R)-2-methyl-3-(trifluoromethyl)-8-azaspiro[4.5]decan-4-one
SMILESC[C@H]1CC2(CCNCC2)C(=O)[C@@H]1C(F)(F)F
InChIInChI=1S/C11H16F3NO/c1-7-6-10(2-4-15-5-3-10)9(16)8(7)11(12,13)14/h7-8,15H,2-6H2,1H3/t7-,8+/m0/s1
InChIKeyMDHXQOLIZXHIJH-JGVFFNPUSA-N
MW235.25 g/mol
LogP2.14
Rot. Bonds

About (2S,3R)-2-methyl-3-(trifluoromethyl)-8-azaspiro[4.5]decan-4-one

(2S,3R)-2-methyl-3-(trifluoromethyl)-8-azaspiro[4.5]decan-4-one (PubChem CID 154995486) has the molecular formula C11H16F3NO and a molecular weight of 235.25 g/mol. Its IUPAC name is (2S,3R)-2-methyl-3-(trifluoromethyl)-8-azaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name(2S,3R)-2-methyl-3-(trifluoromethyl)-8-azaspiro[4.5]decan-4-one
PubChem CID154995486
Molecular FormulaC11H16F3NO
Molecular Weight235.25 g/mol
Exact Mass235.12
IUPAC Name(2S,3R)-2-methyl-3-(trifluoromethyl)-8-azaspiro[4.5]decan-4-one
SMILESC[C@H]1CC2(CCNCC2)C(=O)[C@@H]1C(F)(F)F
InChIInChI=1S/C11H16F3NO/c1-7-6-10(2-4-15-5-3-10)9(16)8(7)11(12,13)14/h7-8,15H,2-6H2,1H3/t7-,8+/m0/s1
InChIKeyMDHXQOLIZXHIJH-JGVFFNPUSA-N
XLogP2.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-methyl-3-(trifluoromethyl)-8-azaspiro[4.5]decan-4-one?
The IUPAC name of (2S,3R)-2-methyl-3-(trifluoromethyl)-8-azaspiro[4.5]decan-4-one (CID 154995486) is (2S,3R)-2-methyl-3-(trifluoromethyl)-8-azaspiro[4.5]decan-4-one.
What is the SMILES notation for (2S,3R)-2-methyl-3-(trifluoromethyl)-8-azaspiro[4.5]decan-4-one?
The canonical SMILES for (2S,3R)-2-methyl-3-(trifluoromethyl)-8-azaspiro[4.5]decan-4-one is C[C@H]1CC2(CCNCC2)C(=O)[C@@H]1C(F)(F)F.
What is the InChIKey of (2S,3R)-2-methyl-3-(trifluoromethyl)-8-azaspiro[4.5]decan-4-one?
The InChIKey is MDHXQOLIZXHIJH-JGVFFNPUSA-N. The full InChI is InChI=1S/C11H16F3NO/c1-7-6-10(2-4-15-5-3-10)9(16)8(7)11(12,13)14/h7-8,15H,2-6H2,1H3/t7-,8+/m0/s1.
What are the key properties of (2S,3R)-2-methyl-3-(trifluoromethyl)-8-azaspiro[4.5]decan-4-one?
(2S,3R)-2-methyl-3-(trifluoromethyl)-8-azaspiro[4.5]decan-4-one has a molecular weight of 235.25 g/mol, XLogP of 2.14, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-methyl-3-(trifluoromethyl)-8-azaspiro[4.5]decan-4-one is sourced from PubChem (CID 154995486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).