1-[3-(2,2,2-trifluoroacetyl)spiro[3.5]non-2-en-2-yl]piperidin-4-one

C16H20F3NO2 — CID 71670773

IUPAC1-[3-(2,2,2-trifluoroacetyl)spiro[3.5]non-2-en-2-yl]piperidin-4-one
SMILESO=C1CCN(C2=C(C(=O)C(F)(F)F)C3(CCCCC3)C2)CC1
InChIInChI=1S/C16H20F3NO2/c17-16(18,19)14(22)13-12(20-8-4-11(21)5-9-20)10-15(13)6-2-1-3-7-15/h1-10H2
InChIKeyFLZVRPCYXKAXJV-UHFFFAOYSA-N
MW315.34 g/mol
LogP3.39
Rot. Bonds2

About 1-[3-(2,2,2-trifluoroacetyl)spiro[3.5]non-2-en-2-yl]piperidin-4-one

1-[3-(2,2,2-trifluoroacetyl)spiro[3.5]non-2-en-2-yl]piperidin-4-one (PubChem CID 71670773) has the molecular formula C16H20F3NO2 and a molecular weight of 315.34 g/mol. Its IUPAC name is 1-[3-(2,2,2-trifluoroacetyl)spiro[3.5]non-2-en-2-yl]piperidin-4-one.

Molecular Properties

Compound Name1-[3-(2,2,2-trifluoroacetyl)spiro[3.5]non-2-en-2-yl]piperidin-4-one
PubChem CID71670773
Molecular FormulaC16H20F3NO2
Molecular Weight315.34 g/mol
Exact Mass315.14
IUPAC Name1-[3-(2,2,2-trifluoroacetyl)spiro[3.5]non-2-en-2-yl]piperidin-4-one
SMILESO=C1CCN(C2=C(C(=O)C(F)(F)F)C3(CCCCC3)C2)CC1
InChIInChI=1S/C16H20F3NO2/c17-16(18,19)14(22)13-12(20-8-4-11(21)5-9-20)10-15(13)6-2-1-3-7-15/h1-10H2
InChIKeyFLZVRPCYXKAXJV-UHFFFAOYSA-N
XLogP3.39
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,2,3,3,4,4,4-Hexafluorobutanoyl)-5,5-dimeth-yl-3-piperidinocyclohex-2-en-1-one
CID 129755202
5,5-Dimethyl-2-(2,2,3,3,3-pentafluoropropan-oyl)-3-piperidinocyclohex-2-en-1-one
CID 129755939
2-(2,2,3,3,4,4,4-Heptafluorobutanoyl)-5,5-di-methyl-3-(pyrrolidin-1-yl)cyclohex-2-en-1-one
CID 129756110
5,5-Dimethyl-3-piperidino-2-trifluoroacetylcyclo-hex-2-en-1-one
CID 129756111
Cambridge id 5219958
CID 788272
1-[3-(2,2,2-Trifluoroacetyl)spiro[3.4]oct-2-en-2-yl]piperidin-4-one
CID 71670772
1-[3-(2,2,2-Trifluoroacetyl)spiro[3.5]non-2-en-2-yl]piperidine-4-carboxylic acid
CID 71670799
1-[7-(2,2,2-Trifluoroacetyl)-6-bicyclo[3.2.0]hept-6-enyl]piperidin-4-one
CID 71670954
1-[8-(2,2,2-Trifluoroacetyl)-7-bicyclo[4.2.0]oct-7-enyl]piperidin-4-one
CID 71670964
1-[3,3-Dimethyl-2-(2,2,2-trifluoroacetyl)cyclobuten-1-yl]piperidin-4-one
CID 71670965
1-[3-(2,2,2-Trifluoroacetyl)spiro[3.3]hept-2-en-2-yl]piperidin-4-one
CID 71670966

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,2,2-trifluoroacetyl)spiro[3.5]non-2-en-2-yl]piperidin-4-one?
The IUPAC name of 1-[3-(2,2,2-trifluoroacetyl)spiro[3.5]non-2-en-2-yl]piperidin-4-one (CID 71670773) is 1-[3-(2,2,2-trifluoroacetyl)spiro[3.5]non-2-en-2-yl]piperidin-4-one.
What is the SMILES notation for 1-[3-(2,2,2-trifluoroacetyl)spiro[3.5]non-2-en-2-yl]piperidin-4-one?
The canonical SMILES for 1-[3-(2,2,2-trifluoroacetyl)spiro[3.5]non-2-en-2-yl]piperidin-4-one is O=C1CCN(C2=C(C(=O)C(F)(F)F)C3(CCCCC3)C2)CC1.
What is the InChIKey of 1-[3-(2,2,2-trifluoroacetyl)spiro[3.5]non-2-en-2-yl]piperidin-4-one?
The InChIKey is FLZVRPCYXKAXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NO2/c17-16(18,19)14(22)13-12(20-8-4-11(21)5-9-20)10-15(13)6-2-1-3-7-15/h1-10H2.
What are the key properties of 1-[3-(2,2,2-trifluoroacetyl)spiro[3.5]non-2-en-2-yl]piperidin-4-one?
1-[3-(2,2,2-trifluoroacetyl)spiro[3.5]non-2-en-2-yl]piperidin-4-one has a molecular weight of 315.34 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,2,2-trifluoroacetyl)spiro[3.5]non-2-en-2-yl]piperidin-4-one is sourced from PubChem (CID 71670773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).