4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)piperidine

C13H13F4NO2 — CID 117470326

IUPAC4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)piperidine
SMILESFC1(F)Oc2ccc(C3CCNCC3)cc2OC1(F)F
InChIInChI=1S/C13H13F4NO2/c14-12(15)13(16,17)20-11-7-9(1-2-10(11)19-12)8-3-5-18-6-4-8/h1-2,7-8,18H,3-6H2
InChIKeyHTINGMAXGXFVKH-UHFFFAOYSA-N
MW291.24 g/mol
LogP3.11
Rot. Bonds1

About 4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)piperidine

4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)piperidine (PubChem CID 117470326) has the molecular formula C13H13F4NO2 and a molecular weight of 291.24 g/mol. Its IUPAC name is 4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)piperidine.

Molecular Properties

Compound Name4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)piperidine
PubChem CID117470326
Molecular FormulaC13H13F4NO2
Molecular Weight291.24 g/mol
Exact Mass291.09
IUPAC Name4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)piperidine
SMILESFC1(F)Oc2ccc(C3CCNCC3)cc2OC1(F)F
InChIInChI=1S/C13H13F4NO2/c14-12(15)13(16,17)20-11-7-9(1-2-10(11)19-12)8-3-5-18-6-4-8/h1-2,7-8,18H,3-6H2
InChIKeyHTINGMAXGXFVKH-UHFFFAOYSA-N
XLogP3.11
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.24
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)piperidine?
The IUPAC name of 4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)piperidine (CID 117470326) is 4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)piperidine.
What is the SMILES notation for 4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)piperidine?
The canonical SMILES for 4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)piperidine is FC1(F)Oc2ccc(C3CCNCC3)cc2OC1(F)F.
What is the InChIKey of 4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)piperidine?
The InChIKey is HTINGMAXGXFVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F4NO2/c14-12(15)13(16,17)20-11-7-9(1-2-10(11)19-12)8-3-5-18-6-4-8/h1-2,7-8,18H,3-6H2.
What are the key properties of 4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)piperidine?
4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)piperidine has a molecular weight of 291.24 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)piperidine is sourced from PubChem (CID 117470326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).