(9-oxo-2-piperidin-4-yloxyfluoren-1-yl) 2,2,2-trifluoroacetate

C20H16F3NO4 — CID 57439860

IUPAC(9-oxo-2-piperidin-4-yloxyfluoren-1-yl) 2,2,2-trifluoroacetate
SMILESO=C1c2ccccc2-c2ccc(OC3CCNCC3)c(OC(=O)C(F)(F)F)c21
InChIInChI=1S/C20H16F3NO4/c21-20(22,23)19(26)28-18-15(27-11-7-9-24-10-8-11)6-5-13-12-3-1-2-4-14(12)17(25)16(13)18/h1-6,11,24H,7-10H2
InChIKeyODDHAJCEUYPWOG-UHFFFAOYSA-N
MW391.35 g/mol
LogP3.50
Rot. Bonds3

About (9-oxo-2-piperidin-4-yloxyfluoren-1-yl) 2,2,2-trifluoroacetate

(9-oxo-2-piperidin-4-yloxyfluoren-1-yl) 2,2,2-trifluoroacetate (PubChem CID 57439860) has the molecular formula C20H16F3NO4 and a molecular weight of 391.35 g/mol. Its IUPAC name is (9-oxo-2-piperidin-4-yloxyfluoren-1-yl) 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name(9-oxo-2-piperidin-4-yloxyfluoren-1-yl) 2,2,2-trifluoroacetate
PubChem CID57439860
Molecular FormulaC20H16F3NO4
Molecular Weight391.35 g/mol
Exact Mass391.10
IUPAC Name(9-oxo-2-piperidin-4-yloxyfluoren-1-yl) 2,2,2-trifluoroacetate
SMILESO=C1c2ccccc2-c2ccc(OC3CCNCC3)c(OC(=O)C(F)(F)F)c21
InChIInChI=1S/C20H16F3NO4/c21-20(22,23)19(26)28-18-15(27-11-7-9-24-10-8-11)6-5-13-12-3-1-2-4-14(12)17(25)16(13)18/h1-6,11,24H,7-10H2
InChIKeyODDHAJCEUYPWOG-UHFFFAOYSA-N
XLogP3.50
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.35
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (9-oxo-2-piperidin-4-yloxyfluoren-1-yl) 2,2,2-trifluoroacetate?
The IUPAC name of (9-oxo-2-piperidin-4-yloxyfluoren-1-yl) 2,2,2-trifluoroacetate (CID 57439860) is (9-oxo-2-piperidin-4-yloxyfluoren-1-yl) 2,2,2-trifluoroacetate.
What is the SMILES notation for (9-oxo-2-piperidin-4-yloxyfluoren-1-yl) 2,2,2-trifluoroacetate?
The canonical SMILES for (9-oxo-2-piperidin-4-yloxyfluoren-1-yl) 2,2,2-trifluoroacetate is O=C1c2ccccc2-c2ccc(OC3CCNCC3)c(OC(=O)C(F)(F)F)c21.
What is the InChIKey of (9-oxo-2-piperidin-4-yloxyfluoren-1-yl) 2,2,2-trifluoroacetate?
The InChIKey is ODDHAJCEUYPWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3NO4/c21-20(22,23)19(26)28-18-15(27-11-7-9-24-10-8-11)6-5-13-12-3-1-2-4-14(12)17(25)16(13)18/h1-6,11,24H,7-10H2.
What are the key properties of (9-oxo-2-piperidin-4-yloxyfluoren-1-yl) 2,2,2-trifluoroacetate?
(9-oxo-2-piperidin-4-yloxyfluoren-1-yl) 2,2,2-trifluoroacetate has a molecular weight of 391.35 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (9-oxo-2-piperidin-4-yloxyfluoren-1-yl) 2,2,2-trifluoroacetate is sourced from PubChem (CID 57439860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).