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

C18H17F2NO2 — CID 126472457

IUPAC6-(3,4-difluorophenyl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]
SMILESFc1ccc(-c2ccc3c(c2)COC2(CCNCC2)O3)cc1F
InChIInChI=1S/C18H17F2NO2/c19-15-3-1-13(10-16(15)20)12-2-4-17-14(9-12)11-22-18(23-17)5-7-21-8-6-18/h1-4,9-10,21H,5-8,11H2
InChIKeyCFMFRKSVGAQOSV-UHFFFAOYSA-N
MW317.34 g/mol
LogP3.62
Rot. Bonds1

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

6-(3,4-difluorophenyl)spiro[4H-1,3-benzodioxine-2,4'-piperidine] (PubChem CID 126472457) has the molecular formula C18H17F2NO2 and a molecular weight of 317.34 g/mol. Its IUPAC name is 6-(3,4-difluorophenyl)spiro[4H-1,3-benzodioxine-2,4'-piperidine].

Molecular Properties

Compound Name6-(3,4-difluorophenyl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]
PubChem CID126472457
Molecular FormulaC18H17F2NO2
Molecular Weight317.34 g/mol
Exact Mass317.12
IUPAC Name6-(3,4-difluorophenyl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]
SMILESFc1ccc(-c2ccc3c(c2)COC2(CCNCC2)O3)cc1F
InChIInChI=1S/C18H17F2NO2/c19-15-3-1-13(10-16(15)20)12-2-4-17-14(9-12)11-22-18(23-17)5-7-21-8-6-18/h1-4,9-10,21H,5-8,11H2
InChIKeyCFMFRKSVGAQOSV-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-difluorophenyl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]?
The IUPAC name of 6-(3,4-difluorophenyl)spiro[4H-1,3-benzodioxine-2,4'-piperidine] (CID 126472457) is 6-(3,4-difluorophenyl)spiro[4H-1,3-benzodioxine-2,4'-piperidine].
What is the SMILES notation for 6-(3,4-difluorophenyl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]?
The canonical SMILES for 6-(3,4-difluorophenyl)spiro[4H-1,3-benzodioxine-2,4'-piperidine] is Fc1ccc(-c2ccc3c(c2)COC2(CCNCC2)O3)cc1F.
What is the InChIKey of 6-(3,4-difluorophenyl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]?
The InChIKey is CFMFRKSVGAQOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2NO2/c19-15-3-1-13(10-16(15)20)12-2-4-17-14(9-12)11-22-18(23-17)5-7-21-8-6-18/h1-4,9-10,21H,5-8,11H2.
What are the key properties of 6-(3,4-difluorophenyl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]?
6-(3,4-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-(3,4-difluorophenyl)spiro[4H-1,3-benzodioxine-2,4'-piperidine] is sourced from PubChem (CID 126472457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).