6-(3,5-difluorophenyl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]

C18H17F2NO2 — CID 126474284

IUPAC6-(3,5-difluorophenyl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]
SMILESFc1cc(F)cc(-c2ccc3c(c2)COC2(CCNCC2)O3)c1
InChIInChI=1S/C18H17F2NO2/c19-15-8-13(9-16(20)10-15)12-1-2-17-14(7-12)11-22-18(23-17)3-5-21-6-4-18/h1-2,7-10,21H,3-6,11H2
InChIKeyYIDNWDKOSPZMBE-UHFFFAOYSA-N
MW317.34 g/mol
LogP3.62
Rot. Bonds1

About 6-(3,5-difluorophenyl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]

6-(3,5-difluorophenyl)spiro[4H-1,3-benzodioxine-2,4'-piperidine] (PubChem CID 126474284) has the molecular formula C18H17F2NO2 and a molecular weight of 317.34 g/mol. Its IUPAC name is 6-(3,5-difluorophenyl)spiro[4H-1,3-benzodioxine-2,4'-piperidine].

Molecular Properties

Compound Name6-(3,5-difluorophenyl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]
PubChem CID126474284
Molecular FormulaC18H17F2NO2
Molecular Weight317.34 g/mol
Exact Mass317.12
IUPAC Name6-(3,5-difluorophenyl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]
SMILESFc1cc(F)cc(-c2ccc3c(c2)COC2(CCNCC2)O3)c1
InChIInChI=1S/C18H17F2NO2/c19-15-8-13(9-16(20)10-15)12-1-2-17-14(7-12)11-22-18(23-17)3-5-21-6-4-18/h1-2,7-10,21H,3-6,11H2
InChIKeyYIDNWDKOSPZMBE-UHFFFAOYSA-N
XLogP3.62
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-difluorophenyl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]?
The IUPAC name of 6-(3,5-difluorophenyl)spiro[4H-1,3-benzodioxine-2,4'-piperidine] (CID 126474284) is 6-(3,5-difluorophenyl)spiro[4H-1,3-benzodioxine-2,4'-piperidine].
What is the SMILES notation for 6-(3,5-difluorophenyl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]?
The canonical SMILES for 6-(3,5-difluorophenyl)spiro[4H-1,3-benzodioxine-2,4'-piperidine] is Fc1cc(F)cc(-c2ccc3c(c2)COC2(CCNCC2)O3)c1.
What is the InChIKey of 6-(3,5-difluorophenyl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]?
The InChIKey is YIDNWDKOSPZMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2NO2/c19-15-8-13(9-16(20)10-15)12-1-2-17-14(7-12)11-22-18(23-17)3-5-21-6-4-18/h1-2,7-10,21H,3-6,11H2.
What are the key properties of 6-(3,5-difluorophenyl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]?
6-(3,5-difluorophenyl)spiro[4H-1,3-benzodioxine-2,4'-piperidine] has a molecular weight of 317.34 g/mol, XLogP of 3.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-difluorophenyl)spiro[4H-1,3-benzodioxine-2,4'-piperidine] is sourced from PubChem (CID 126474284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).