4',4'-difluoro-6-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione

C13H14F2N2O2 — CID 164943114

IUPAC4',4'-difluoro-6-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
SMILESCc1ccc2n(c1=O)C1(CCC(F)(F)CC1)NC2=O
InChIInChI=1S/C13H14F2N2O2/c1-8-2-3-9-10(18)16-13(17(9)11(8)19)6-4-12(14,15)5-7-13/h2-3H,4-7H2,1H3,(H,16,18)
InChIKeyJEVVKFIRELGIDN-UHFFFAOYSA-N
MW268.26 g/mol
LogP1.76
Rot. Bonds

About 4',4'-difluoro-6-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione

4',4'-difluoro-6-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione (PubChem CID 164943114) has the molecular formula C13H14F2N2O2 and a molecular weight of 268.26 g/mol. Its IUPAC name is 4',4'-difluoro-6-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione.

Molecular Properties

Compound Name4',4'-difluoro-6-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
PubChem CID164943114
Molecular FormulaC13H14F2N2O2
Molecular Weight268.26 g/mol
Exact Mass268.10
IUPAC Name4',4'-difluoro-6-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
SMILESCc1ccc2n(c1=O)C1(CCC(F)(F)CC1)NC2=O
InChIInChI=1S/C13H14F2N2O2/c1-8-2-3-9-10(18)16-13(17(9)11(8)19)6-4-12(14,15)5-7-13/h2-3H,4-7H2,1H3,(H,16,18)
InChIKeyJEVVKFIRELGIDN-UHFFFAOYSA-N
XLogP1.76
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4',4'-difluoro-6-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
The IUPAC name of 4',4'-difluoro-6-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione (CID 164943114) is 4',4'-difluoro-6-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione.
What is the SMILES notation for 4',4'-difluoro-6-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
The canonical SMILES for 4',4'-difluoro-6-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione is Cc1ccc2n(c1=O)C1(CCC(F)(F)CC1)NC2=O.
What is the InChIKey of 4',4'-difluoro-6-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
The InChIKey is JEVVKFIRELGIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O2/c1-8-2-3-9-10(18)16-13(17(9)11(8)19)6-4-12(14,15)5-7-13/h2-3H,4-7H2,1H3,(H,16,18).
What are the key properties of 4',4'-difluoro-6-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
4',4'-difluoro-6-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione has a molecular weight of 268.26 g/mol, XLogP of 1.76, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4',4'-difluoro-6-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione is sourced from PubChem (CID 164943114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).