dibenzofuran-2-yl 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate

C26H20F3NO4 — CID 43038702

IUPACdibenzofuran-2-yl 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate
SMILESO=C(Oc1ccc2oc3ccccc3c2c1)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C26H20F3NO4/c27-26(28,29)18-7-5-16(6-8-18)24(31)30-13-11-17(12-14-30)25(32)33-19-9-10-23-21(15-19)20-3-1-2-4-22(20)34-23/h1-10,15,17H,11-14H2
InChIKeySFIABXKJPVHVRG-UHFFFAOYSA-N
MW467.44 g/mol
LogP6.06
Rot. Bonds3

About dibenzofuran-2-yl 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate

dibenzofuran-2-yl 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate (PubChem CID 43038702) has the molecular formula C26H20F3NO4 and a molecular weight of 467.44 g/mol. Its IUPAC name is dibenzofuran-2-yl 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namedibenzofuran-2-yl 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate
PubChem CID43038702
Molecular FormulaC26H20F3NO4
Molecular Weight467.44 g/mol
Exact Mass467.13
IUPAC Namedibenzofuran-2-yl 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate
SMILESO=C(Oc1ccc2oc3ccccc3c2c1)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C26H20F3NO4/c27-26(28,29)18-7-5-16(6-8-18)24(31)30-13-11-17(12-14-30)25(32)33-19-9-10-23-21(15-19)20-3-1-2-4-22(20)34-23/h1-10,15,17H,11-14H2
InChIKeySFIABXKJPVHVRG-UHFFFAOYSA-N
XLogP6.06
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.44
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 dibenzofuran-2-yl 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate?
The IUPAC name of dibenzofuran-2-yl 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate (CID 43038702) is dibenzofuran-2-yl 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate.
What is the SMILES notation for dibenzofuran-2-yl 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate?
The canonical SMILES for dibenzofuran-2-yl 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate is O=C(Oc1ccc2oc3ccccc3c2c1)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of dibenzofuran-2-yl 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate?
The InChIKey is SFIABXKJPVHVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F3NO4/c27-26(28,29)18-7-5-16(6-8-18)24(31)30-13-11-17(12-14-30)25(32)33-19-9-10-23-21(15-19)20-3-1-2-4-22(20)34-23/h1-10,15,17H,11-14H2.
What are the key properties of dibenzofuran-2-yl 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate?
dibenzofuran-2-yl 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate has a molecular weight of 467.44 g/mol, XLogP of 6.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzofuran-2-yl 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate is sourced from PubChem (CID 43038702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).