8-ethyl-1,1-difluoro-6-methyl-2,3-dihydroindolizin-5-one

C11H13F2NO — CID 126611910

IUPAC8-ethyl-1,1-difluoro-6-methyl-2,3-dihydroindolizin-5-one
SMILESCCc1cc(C)c(=O)n2c1C(F)(F)CC2
InChIInChI=1S/C11H13F2NO/c1-3-8-6-7(2)10(15)14-5-4-11(12,13)9(8)14/h6H,3-5H2,1-2H3
InChIKeyVLGKGMPBOJTVLO-UHFFFAOYSA-N
MW213.23 g/mol
LogP2.21
Rot. Bonds1

About 8-ethyl-1,1-difluoro-6-methyl-2,3-dihydroindolizin-5-one

8-ethyl-1,1-difluoro-6-methyl-2,3-dihydroindolizin-5-one (PubChem CID 126611910) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is 8-ethyl-1,1-difluoro-6-methyl-2,3-dihydroindolizin-5-one.

Molecular Properties

Compound Name8-ethyl-1,1-difluoro-6-methyl-2,3-dihydroindolizin-5-one
PubChem CID126611910
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name8-ethyl-1,1-difluoro-6-methyl-2,3-dihydroindolizin-5-one
SMILESCCc1cc(C)c(=O)n2c1C(F)(F)CC2
InChIInChI=1S/C11H13F2NO/c1-3-8-6-7(2)10(15)14-5-4-11(12,13)9(8)14/h6H,3-5H2,1-2H3
InChIKeyVLGKGMPBOJTVLO-UHFFFAOYSA-N
XLogP2.21
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-1,1-difluoro-6-methyl-2,3-dihydroindolizin-5-one?
The IUPAC name of 8-ethyl-1,1-difluoro-6-methyl-2,3-dihydroindolizin-5-one (CID 126611910) is 8-ethyl-1,1-difluoro-6-methyl-2,3-dihydroindolizin-5-one.
What is the SMILES notation for 8-ethyl-1,1-difluoro-6-methyl-2,3-dihydroindolizin-5-one?
The canonical SMILES for 8-ethyl-1,1-difluoro-6-methyl-2,3-dihydroindolizin-5-one is CCc1cc(C)c(=O)n2c1C(F)(F)CC2.
What is the InChIKey of 8-ethyl-1,1-difluoro-6-methyl-2,3-dihydroindolizin-5-one?
The InChIKey is VLGKGMPBOJTVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO/c1-3-8-6-7(2)10(15)14-5-4-11(12,13)9(8)14/h6H,3-5H2,1-2H3.
What are the key properties of 8-ethyl-1,1-difluoro-6-methyl-2,3-dihydroindolizin-5-one?
8-ethyl-1,1-difluoro-6-methyl-2,3-dihydroindolizin-5-one has a molecular weight of 213.23 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-1,1-difluoro-6-methyl-2,3-dihydroindolizin-5-one is sourced from PubChem (CID 126611910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).