5,5-difluorospiro[6H-pyrano[3,4-b]pyridine-8,3'-oxolane]

C11H11F2NO2 — CID 162728787

IUPAC5,5-difluorospiro[6H-pyrano[3,4-b]pyridine-8,3'-oxolane]
SMILESFC1(F)COC2(CCOC2)c2ncccc21
InChIInChI=1S/C11H11F2NO2/c12-11(13)7-16-10(3-5-15-6-10)9-8(11)2-1-4-14-9/h1-2,4H,3,5-7H2
InChIKeyDKFCKBBYHOQIDI-UHFFFAOYSA-N
MW227.21 g/mol
LogP1.82
Rot. Bonds

About 5,5-difluorospiro[6H-pyrano[3,4-b]pyridine-8,3'-oxolane]

5,5-difluorospiro[6H-pyrano[3,4-b]pyridine-8,3'-oxolane] (PubChem CID 162728787) has the molecular formula C11H11F2NO2 and a molecular weight of 227.21 g/mol. Its IUPAC name is 5,5-difluorospiro[6H-pyrano[3,4-b]pyridine-8,3'-oxolane].

Molecular Properties

Compound Name5,5-difluorospiro[6H-pyrano[3,4-b]pyridine-8,3'-oxolane]
PubChem CID162728787
Molecular FormulaC11H11F2NO2
Molecular Weight227.21 g/mol
Exact Mass227.08
IUPAC Name5,5-difluorospiro[6H-pyrano[3,4-b]pyridine-8,3'-oxolane]
SMILESFC1(F)COC2(CCOC2)c2ncccc21
InChIInChI=1S/C11H11F2NO2/c12-11(13)7-16-10(3-5-15-6-10)9-8(11)2-1-4-14-9/h1-2,4H,3,5-7H2
InChIKeyDKFCKBBYHOQIDI-UHFFFAOYSA-N
XLogP1.82
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.21
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5-difluorospiro[6H-pyrano[3,4-b]pyridine-8,3'-oxolane]?
The IUPAC name of 5,5-difluorospiro[6H-pyrano[3,4-b]pyridine-8,3'-oxolane] (CID 162728787) is 5,5-difluorospiro[6H-pyrano[3,4-b]pyridine-8,3'-oxolane].
What is the SMILES notation for 5,5-difluorospiro[6H-pyrano[3,4-b]pyridine-8,3'-oxolane]?
The canonical SMILES for 5,5-difluorospiro[6H-pyrano[3,4-b]pyridine-8,3'-oxolane] is FC1(F)COC2(CCOC2)c2ncccc21.
What is the InChIKey of 5,5-difluorospiro[6H-pyrano[3,4-b]pyridine-8,3'-oxolane]?
The InChIKey is DKFCKBBYHOQIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO2/c12-11(13)7-16-10(3-5-15-6-10)9-8(11)2-1-4-14-9/h1-2,4H,3,5-7H2.
What are the key properties of 5,5-difluorospiro[6H-pyrano[3,4-b]pyridine-8,3'-oxolane]?
5,5-difluorospiro[6H-pyrano[3,4-b]pyridine-8,3'-oxolane] has a molecular weight of 227.21 g/mol, XLogP of 1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluorospiro[6H-pyrano[3,4-b]pyridine-8,3'-oxolane] is sourced from PubChem (CID 162728787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).