1-[8-(2,2,2-trifluoroacetyl)-7-bicyclo[4.2.0]oct-7-enyl]piperidin-4-one

C15H18F3NO2 — CID 71670964

IUPAC1-[8-(2,2,2-trifluoroacetyl)-7-bicyclo[4.2.0]oct-7-enyl]piperidin-4-one
SMILESO=C1CCN(C2=C(C(=O)C(F)(F)F)C3CCCCC23)CC1
InChIInChI=1S/C15H18F3NO2/c16-15(17,18)14(21)12-10-3-1-2-4-11(10)13(12)19-7-5-9(20)6-8-19/h10-11H,1-8H2
InChIKeyBGNZZWYXLZNDJW-UHFFFAOYSA-N
MW301.31 g/mol
LogP2.86
Rot. Bonds2

About 1-[8-(2,2,2-trifluoroacetyl)-7-bicyclo[4.2.0]oct-7-enyl]piperidin-4-one

1-[8-(2,2,2-trifluoroacetyl)-7-bicyclo[4.2.0]oct-7-enyl]piperidin-4-one (PubChem CID 71670964) has the molecular formula C15H18F3NO2 and a molecular weight of 301.31 g/mol. Its IUPAC name is 1-[8-(2,2,2-trifluoroacetyl)-7-bicyclo[4.2.0]oct-7-enyl]piperidin-4-one.

Molecular Properties

Compound Name1-[8-(2,2,2-trifluoroacetyl)-7-bicyclo[4.2.0]oct-7-enyl]piperidin-4-one
PubChem CID71670964
Molecular FormulaC15H18F3NO2
Molecular Weight301.31 g/mol
Exact Mass301.13
IUPAC Name1-[8-(2,2,2-trifluoroacetyl)-7-bicyclo[4.2.0]oct-7-enyl]piperidin-4-one
SMILESO=C1CCN(C2=C(C(=O)C(F)(F)F)C3CCCCC23)CC1
InChIInChI=1S/C15H18F3NO2/c16-15(17,18)14(21)12-10-3-1-2-4-11(10)13(12)19-7-5-9(20)6-8-19/h10-11H,1-8H2
InChIKeyBGNZZWYXLZNDJW-UHFFFAOYSA-N
XLogP2.86
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[8-(2,2,2-trifluoroacetyl)-7-bicyclo[4.2.0]oct-7-enyl]piperidin-4-one?
The IUPAC name of 1-[8-(2,2,2-trifluoroacetyl)-7-bicyclo[4.2.0]oct-7-enyl]piperidin-4-one (CID 71670964) is 1-[8-(2,2,2-trifluoroacetyl)-7-bicyclo[4.2.0]oct-7-enyl]piperidin-4-one.
What is the SMILES notation for 1-[8-(2,2,2-trifluoroacetyl)-7-bicyclo[4.2.0]oct-7-enyl]piperidin-4-one?
The canonical SMILES for 1-[8-(2,2,2-trifluoroacetyl)-7-bicyclo[4.2.0]oct-7-enyl]piperidin-4-one is O=C1CCN(C2=C(C(=O)C(F)(F)F)C3CCCCC23)CC1.
What is the InChIKey of 1-[8-(2,2,2-trifluoroacetyl)-7-bicyclo[4.2.0]oct-7-enyl]piperidin-4-one?
The InChIKey is BGNZZWYXLZNDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO2/c16-15(17,18)14(21)12-10-3-1-2-4-11(10)13(12)19-7-5-9(20)6-8-19/h10-11H,1-8H2.
What are the key properties of 1-[8-(2,2,2-trifluoroacetyl)-7-bicyclo[4.2.0]oct-7-enyl]piperidin-4-one?
1-[8-(2,2,2-trifluoroacetyl)-7-bicyclo[4.2.0]oct-7-enyl]piperidin-4-one has a molecular weight of 301.31 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(2,2,2-trifluoroacetyl)-7-bicyclo[4.2.0]oct-7-enyl]piperidin-4-one is sourced from PubChem (CID 71670964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).