2-piperidin-4-yloxyfluoren-9-one;2,2,2-trifluoroacetic acid

C20H18F3NO4 — CID 67164914

IUPAC2-piperidin-4-yloxyfluoren-9-one;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C1c2ccccc2-c2ccc(OC3CCNCC3)cc21
InChIInChI=1S/C18H17NO2.C2HF3O2/c20-18-16-4-2-1-3-14(16)15-6-5-13(11-17(15)18)21-12-7-9-19-10-8-12;3-2(4,5)1(6)7/h1-6,11-12,19H,7-10H2;(H,6,7)
InChIKeyQPZPINNONJMCKR-UHFFFAOYSA-N
MW393.36 g/mol
LogP3.66
Rot. Bonds2

About 2-piperidin-4-yloxyfluoren-9-one;2,2,2-trifluoroacetic acid

2-piperidin-4-yloxyfluoren-9-one;2,2,2-trifluoroacetic acid (PubChem CID 67164914) has the molecular formula C20H18F3NO4 and a molecular weight of 393.36 g/mol. Its IUPAC name is 2-piperidin-4-yloxyfluoren-9-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-piperidin-4-yloxyfluoren-9-one;2,2,2-trifluoroacetic acid
PubChem CID67164914
Molecular FormulaC20H18F3NO4
Molecular Weight393.36 g/mol
Exact Mass393.12
IUPAC Name2-piperidin-4-yloxyfluoren-9-one;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C1c2ccccc2-c2ccc(OC3CCNCC3)cc21
InChIInChI=1S/C18H17NO2.C2HF3O2/c20-18-16-4-2-1-3-14(16)15-6-5-13(11-17(15)18)21-12-7-9-19-10-8-12;3-2(4,5)1(6)7/h1-6,11-12,19H,7-10H2;(H,6,7)
InChIKeyQPZPINNONJMCKR-UHFFFAOYSA-N
XLogP3.66
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.36
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yloxyfluoren-9-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-piperidin-4-yloxyfluoren-9-one;2,2,2-trifluoroacetic acid (CID 67164914) is 2-piperidin-4-yloxyfluoren-9-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-piperidin-4-yloxyfluoren-9-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-piperidin-4-yloxyfluoren-9-one;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C1c2ccccc2-c2ccc(OC3CCNCC3)cc21.
What is the InChIKey of 2-piperidin-4-yloxyfluoren-9-one;2,2,2-trifluoroacetic acid?
The InChIKey is QPZPINNONJMCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2.C2HF3O2/c20-18-16-4-2-1-3-14(16)15-6-5-13(11-17(15)18)21-12-7-9-19-10-8-12;3-2(4,5)1(6)7/h1-6,11-12,19H,7-10H2;(H,6,7).
What are the key properties of 2-piperidin-4-yloxyfluoren-9-one;2,2,2-trifluoroacetic acid?
2-piperidin-4-yloxyfluoren-9-one;2,2,2-trifluoroacetic acid has a molecular weight of 393.36 g/mol, XLogP of 3.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-yloxyfluoren-9-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 67164914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).