1-[7-(2,2,2-trifluoroacetyl)-6-bicyclo[3.2.0]hept-6-enyl]piperidin-4-one

C14H16F3NO2 — CID 71670954

IUPAC1-[7-(2,2,2-trifluoroacetyl)-6-bicyclo[3.2.0]hept-6-enyl]piperidin-4-one
SMILESO=C1CCN(C2=C(C(=O)C(F)(F)F)C3CCCC23)CC1
InChIInChI=1S/C14H16F3NO2/c15-14(16,17)13(20)11-9-2-1-3-10(9)12(11)18-6-4-8(19)5-7-18/h9-10H,1-7H2
InChIKeyPGIMXZATKLUZGT-UHFFFAOYSA-N
MW287.28 g/mol
LogP2.47
Rot. Bonds2

About 1-[7-(2,2,2-trifluoroacetyl)-6-bicyclo[3.2.0]hept-6-enyl]piperidin-4-one

1-[7-(2,2,2-trifluoroacetyl)-6-bicyclo[3.2.0]hept-6-enyl]piperidin-4-one (PubChem CID 71670954) has the molecular formula C14H16F3NO2 and a molecular weight of 287.28 g/mol. Its IUPAC name is 1-[7-(2,2,2-trifluoroacetyl)-6-bicyclo[3.2.0]hept-6-enyl]piperidin-4-one.

Molecular Properties

Compound Name1-[7-(2,2,2-trifluoroacetyl)-6-bicyclo[3.2.0]hept-6-enyl]piperidin-4-one
PubChem CID71670954
Molecular FormulaC14H16F3NO2
Molecular Weight287.28 g/mol
Exact Mass287.11
IUPAC Name1-[7-(2,2,2-trifluoroacetyl)-6-bicyclo[3.2.0]hept-6-enyl]piperidin-4-one
SMILESO=C1CCN(C2=C(C(=O)C(F)(F)F)C3CCCC23)CC1
InChIInChI=1S/C14H16F3NO2/c15-14(16,17)13(20)11-9-2-1-3-10(9)12(11)18-6-4-8(19)5-7-18/h9-10H,1-7H2
InChIKeyPGIMXZATKLUZGT-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[7-(2,2,2-trifluoroacetyl)-6-bicyclo[3.2.0]hept-6-enyl]piperidin-4-one?
The IUPAC name of 1-[7-(2,2,2-trifluoroacetyl)-6-bicyclo[3.2.0]hept-6-enyl]piperidin-4-one (CID 71670954) is 1-[7-(2,2,2-trifluoroacetyl)-6-bicyclo[3.2.0]hept-6-enyl]piperidin-4-one.
What is the SMILES notation for 1-[7-(2,2,2-trifluoroacetyl)-6-bicyclo[3.2.0]hept-6-enyl]piperidin-4-one?
The canonical SMILES for 1-[7-(2,2,2-trifluoroacetyl)-6-bicyclo[3.2.0]hept-6-enyl]piperidin-4-one is O=C1CCN(C2=C(C(=O)C(F)(F)F)C3CCCC23)CC1.
What is the InChIKey of 1-[7-(2,2,2-trifluoroacetyl)-6-bicyclo[3.2.0]hept-6-enyl]piperidin-4-one?
The InChIKey is PGIMXZATKLUZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO2/c15-14(16,17)13(20)11-9-2-1-3-10(9)12(11)18-6-4-8(19)5-7-18/h9-10H,1-7H2.
What are the key properties of 1-[7-(2,2,2-trifluoroacetyl)-6-bicyclo[3.2.0]hept-6-enyl]piperidin-4-one?
1-[7-(2,2,2-trifluoroacetyl)-6-bicyclo[3.2.0]hept-6-enyl]piperidin-4-one has a molecular weight of 287.28 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(2,2,2-trifluoroacetyl)-6-bicyclo[3.2.0]hept-6-enyl]piperidin-4-one is sourced from PubChem (CID 71670954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).