1-[9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]propan-1-one

C12H18F3NO — CID 126758722

IUPAC1-[9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]propan-1-one
SMILESCCC(=O)N1CCC(C(F)(F)F)C2(CCC2)C1
InChIInChI=1S/C12H18F3NO/c1-2-10(17)16-7-4-9(12(13,14)15)11(8-16)5-3-6-11/h9H,2-8H2,1H3
InChIKeyXNADQISRASWPDC-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.98
Rot. Bonds1

About 1-[9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]propan-1-one

1-[9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]propan-1-one (PubChem CID 126758722) has the molecular formula C12H18F3NO and a molecular weight of 249.28 g/mol. Its IUPAC name is 1-[9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]propan-1-one.

Molecular Properties

Compound Name1-[9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]propan-1-one
PubChem CID126758722
Molecular FormulaC12H18F3NO
Molecular Weight249.28 g/mol
Exact Mass249.13
IUPAC Name1-[9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]propan-1-one
SMILESCCC(=O)N1CCC(C(F)(F)F)C2(CCC2)C1
InChIInChI=1S/C12H18F3NO/c1-2-10(17)16-7-4-9(12(13,14)15)11(8-16)5-3-6-11/h9H,2-8H2,1H3
InChIKeyXNADQISRASWPDC-UHFFFAOYSA-N
XLogP2.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]propan-1-one?
The IUPAC name of 1-[9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]propan-1-one (CID 126758722) is 1-[9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]propan-1-one.
What is the SMILES notation for 1-[9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]propan-1-one?
The canonical SMILES for 1-[9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]propan-1-one is CCC(=O)N1CCC(C(F)(F)F)C2(CCC2)C1.
What is the InChIKey of 1-[9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]propan-1-one?
The InChIKey is XNADQISRASWPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3NO/c1-2-10(17)16-7-4-9(12(13,14)15)11(8-16)5-3-6-11/h9H,2-8H2,1H3.
What are the key properties of 1-[9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]propan-1-one?
1-[9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]propan-1-one has a molecular weight of 249.28 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]propan-1-one is sourced from PubChem (CID 126758722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).