6-(2,2-difluoroethoxy)spiro[3H-1-benzofuran-2,4'-piperidine]-5-amine

C14H18F2N2O2 — CID 129298396

IUPAC6-(2,2-difluoroethoxy)spiro[3H-1-benzofuran-2,4'-piperidine]-5-amine
SMILESNc1cc2c(cc1OCC(F)F)OC1(CCNCC1)C2
InChIInChI=1S/C14H18F2N2O2/c15-13(16)8-19-12-6-11-9(5-10(12)17)7-14(20-11)1-3-18-4-2-14/h5-6,13,18H,1-4,7-8,17H2
InChIKeyQOAJGDALFFRXLS-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.97
Rot. Bonds3

About 6-(2,2-difluoroethoxy)spiro[3H-1-benzofuran-2,4'-piperidine]-5-amine

6-(2,2-difluoroethoxy)spiro[3H-1-benzofuran-2,4'-piperidine]-5-amine (PubChem CID 129298396) has the molecular formula C14H18F2N2O2 and a molecular weight of 284.31 g/mol. Its IUPAC name is 6-(2,2-difluoroethoxy)spiro[3H-1-benzofuran-2,4'-piperidine]-5-amine.

Molecular Properties

Compound Name6-(2,2-difluoroethoxy)spiro[3H-1-benzofuran-2,4'-piperidine]-5-amine
PubChem CID129298396
Molecular FormulaC14H18F2N2O2
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Name6-(2,2-difluoroethoxy)spiro[3H-1-benzofuran-2,4'-piperidine]-5-amine
SMILESNc1cc2c(cc1OCC(F)F)OC1(CCNCC1)C2
InChIInChI=1S/C14H18F2N2O2/c15-13(16)8-19-12-6-11-9(5-10(12)17)7-14(20-11)1-3-18-4-2-14/h5-6,13,18H,1-4,7-8,17H2
InChIKeyQOAJGDALFFRXLS-UHFFFAOYSA-N
XLogP1.97
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2-difluoroethoxy)spiro[3H-1-benzofuran-2,4'-piperidine]-5-amine?
The IUPAC name of 6-(2,2-difluoroethoxy)spiro[3H-1-benzofuran-2,4'-piperidine]-5-amine (CID 129298396) is 6-(2,2-difluoroethoxy)spiro[3H-1-benzofuran-2,4'-piperidine]-5-amine.
What is the SMILES notation for 6-(2,2-difluoroethoxy)spiro[3H-1-benzofuran-2,4'-piperidine]-5-amine?
The canonical SMILES for 6-(2,2-difluoroethoxy)spiro[3H-1-benzofuran-2,4'-piperidine]-5-amine is Nc1cc2c(cc1OCC(F)F)OC1(CCNCC1)C2.
What is the InChIKey of 6-(2,2-difluoroethoxy)spiro[3H-1-benzofuran-2,4'-piperidine]-5-amine?
The InChIKey is QOAJGDALFFRXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O2/c15-13(16)8-19-12-6-11-9(5-10(12)17)7-14(20-11)1-3-18-4-2-14/h5-6,13,18H,1-4,7-8,17H2.
What are the key properties of 6-(2,2-difluoroethoxy)spiro[3H-1-benzofuran-2,4'-piperidine]-5-amine?
6-(2,2-difluoroethoxy)spiro[3H-1-benzofuran-2,4'-piperidine]-5-amine has a molecular weight of 284.31 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-difluoroethoxy)spiro[3H-1-benzofuran-2,4'-piperidine]-5-amine is sourced from PubChem (CID 129298396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).