4-(difluoromethyl)spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]

C12H13F2NO2 — CID 162728856

IUPAC4-(difluoromethyl)spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]
SMILESFC(F)c1ccnc2c1CCOC21CCOC1
InChIInChI=1S/C12H13F2NO2/c13-11(14)9-1-4-15-10-8(9)2-5-17-12(10)3-6-16-7-12/h1,4,11H,2-3,5-7H2
InChIKeyGYPVINAHMWTNHO-UHFFFAOYSA-N
MW241.24 g/mol
LogP2.21
Rot. Bonds1

About 4-(difluoromethyl)spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]

4-(difluoromethyl)spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane] (PubChem CID 162728856) has the molecular formula C12H13F2NO2 and a molecular weight of 241.24 g/mol. Its IUPAC name is 4-(difluoromethyl)spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane].

Molecular Properties

Compound Name4-(difluoromethyl)spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]
PubChem CID162728856
Molecular FormulaC12H13F2NO2
Molecular Weight241.24 g/mol
Exact Mass241.09
IUPAC Name4-(difluoromethyl)spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]
SMILESFC(F)c1ccnc2c1CCOC21CCOC1
InChIInChI=1S/C12H13F2NO2/c13-11(14)9-1-4-15-10-8(9)2-5-17-12(10)3-6-16-7-12/h1,4,11H,2-3,5-7H2
InChIKeyGYPVINAHMWTNHO-UHFFFAOYSA-N
XLogP2.21
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(difluoromethyl)spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane] 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 4-(difluoromethyl)spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]?
The IUPAC name of 4-(difluoromethyl)spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane] (CID 162728856) is 4-(difluoromethyl)spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane].
What is the SMILES notation for 4-(difluoromethyl)spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]?
The canonical SMILES for 4-(difluoromethyl)spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane] is FC(F)c1ccnc2c1CCOC21CCOC1.
What is the InChIKey of 4-(difluoromethyl)spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]?
The InChIKey is GYPVINAHMWTNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO2/c13-11(14)9-1-4-15-10-8(9)2-5-17-12(10)3-6-16-7-12/h1,4,11H,2-3,5-7H2.
What are the key properties of 4-(difluoromethyl)spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]?
4-(difluoromethyl)spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane] has a molecular weight of 241.24 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane] is sourced from PubChem (CID 162728856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).