1-[3-(2,2,2-trifluoroacetyl)spiro[3.3]hept-2-en-2-yl]piperidin-4-one

C14H16F3NO2 — CID 71670966

IUPAC1-[3-(2,2,2-trifluoroacetyl)spiro[3.3]hept-2-en-2-yl]piperidin-4-one
SMILESO=C1CCN(C2=C(C(=O)C(F)(F)F)C3(CCC3)C2)CC1
InChIInChI=1S/C14H16F3NO2/c15-14(16,17)12(20)11-10(8-13(11)4-1-5-13)18-6-2-9(19)3-7-18/h1-8H2
InChIKeyRHIKJVCJRGTFEZ-UHFFFAOYSA-N
MW287.28 g/mol
LogP2.61
Rot. Bonds2

About 1-[3-(2,2,2-trifluoroacetyl)spiro[3.3]hept-2-en-2-yl]piperidin-4-one

1-[3-(2,2,2-trifluoroacetyl)spiro[3.3]hept-2-en-2-yl]piperidin-4-one (PubChem CID 71670966) has the molecular formula C14H16F3NO2 and a molecular weight of 287.28 g/mol. Its IUPAC name is 1-[3-(2,2,2-trifluoroacetyl)spiro[3.3]hept-2-en-2-yl]piperidin-4-one.

Molecular Properties

Compound Name1-[3-(2,2,2-trifluoroacetyl)spiro[3.3]hept-2-en-2-yl]piperidin-4-one
PubChem CID71670966
Molecular FormulaC14H16F3NO2
Molecular Weight287.28 g/mol
Exact Mass287.11
IUPAC Name1-[3-(2,2,2-trifluoroacetyl)spiro[3.3]hept-2-en-2-yl]piperidin-4-one
SMILESO=C1CCN(C2=C(C(=O)C(F)(F)F)C3(CCC3)C2)CC1
InChIInChI=1S/C14H16F3NO2/c15-14(16,17)12(20)11-10(8-13(11)4-1-5-13)18-6-2-9(19)3-7-18/h1-8H2
InChIKeyRHIKJVCJRGTFEZ-UHFFFAOYSA-N
XLogP2.61
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5,5-Dimethyl-3-piperidino-2-trifluoroacetylcyclo-hex-2-en-1-one
CID 129756111
1-[2-(Dimethylamino)spiro[3.3]hept-2-en-3-yl]-2,2,2-trifluoroethanone
CID 71670556
2,2,2-Trifluoro-1-(2-pyrrolidin-1-ylspiro[3.3]hept-2-en-3-yl)ethanone
CID 71670558
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]piperidin-4-one
CID 71670773
1-[3-(2,2,2-Trifluoroacetyl)spiro[3.3]hept-2-en-2-yl]piperidine-4-carboxylic acid
CID 71670787
1-[3,3-Dimethyl-2-(2,2,2-trifluoroacetyl)cyclobuten-1-yl]piperidin-4-one
CID 71670965
1-[2-(Diethylamino)spiro[3.3]hept-2-en-3-yl]-2,2,2-trifluoroethanone
CID 101504698

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,2,2-trifluoroacetyl)spiro[3.3]hept-2-en-2-yl]piperidin-4-one?
The IUPAC name of 1-[3-(2,2,2-trifluoroacetyl)spiro[3.3]hept-2-en-2-yl]piperidin-4-one (CID 71670966) is 1-[3-(2,2,2-trifluoroacetyl)spiro[3.3]hept-2-en-2-yl]piperidin-4-one.
What is the SMILES notation for 1-[3-(2,2,2-trifluoroacetyl)spiro[3.3]hept-2-en-2-yl]piperidin-4-one?
The canonical SMILES for 1-[3-(2,2,2-trifluoroacetyl)spiro[3.3]hept-2-en-2-yl]piperidin-4-one is O=C1CCN(C2=C(C(=O)C(F)(F)F)C3(CCC3)C2)CC1.
What is the InChIKey of 1-[3-(2,2,2-trifluoroacetyl)spiro[3.3]hept-2-en-2-yl]piperidin-4-one?
The InChIKey is RHIKJVCJRGTFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO2/c15-14(16,17)12(20)11-10(8-13(11)4-1-5-13)18-6-2-9(19)3-7-18/h1-8H2.
What are the key properties of 1-[3-(2,2,2-trifluoroacetyl)spiro[3.3]hept-2-en-2-yl]piperidin-4-one?
1-[3-(2,2,2-trifluoroacetyl)spiro[3.3]hept-2-en-2-yl]piperidin-4-one has a molecular weight of 287.28 g/mol, XLogP of 2.61, 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[3.3]hept-2-en-2-yl]piperidin-4-one is sourced from PubChem (CID 71670966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).