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

C9H9F2NO — CID 122633859

IUPAC1,1-difluoro-6-methyl-2,3-dihydroindolizin-5-one
SMILESCc1ccc2n(c1=O)CCC2(F)F
InChIInChI=1S/C9H9F2NO/c1-6-2-3-7-9(10,11)4-5-12(7)8(6)13/h2-3H,4-5H2,1H3
InChIKeyXBDYVAOUGWRBLB-UHFFFAOYSA-N
MW185.17 g/mol
LogP1.65
Rot. Bonds

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

1,1-difluoro-6-methyl-2,3-dihydroindolizin-5-one (PubChem CID 122633859) has the molecular formula C9H9F2NO and a molecular weight of 185.17 g/mol. Its IUPAC name is 1,1-difluoro-6-methyl-2,3-dihydroindolizin-5-one.

Molecular Properties

Compound Name1,1-difluoro-6-methyl-2,3-dihydroindolizin-5-one
PubChem CID122633859
Molecular FormulaC9H9F2NO
Molecular Weight185.17 g/mol
Exact Mass185.07
IUPAC Name1,1-difluoro-6-methyl-2,3-dihydroindolizin-5-one
SMILESCc1ccc2n(c1=O)CCC2(F)F
InChIInChI=1S/C9H9F2NO/c1-6-2-3-7-9(10,11)4-5-12(7)8(6)13/h2-3H,4-5H2,1H3
InChIKeyXBDYVAOUGWRBLB-UHFFFAOYSA-N
XLogP1.65
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.17
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-6-methyl-2,3-dihydroindolizin-5-one?
The IUPAC name of 1,1-difluoro-6-methyl-2,3-dihydroindolizin-5-one (CID 122633859) is 1,1-difluoro-6-methyl-2,3-dihydroindolizin-5-one.
What is the SMILES notation for 1,1-difluoro-6-methyl-2,3-dihydroindolizin-5-one?
The canonical SMILES for 1,1-difluoro-6-methyl-2,3-dihydroindolizin-5-one is Cc1ccc2n(c1=O)CCC2(F)F.
What is the InChIKey of 1,1-difluoro-6-methyl-2,3-dihydroindolizin-5-one?
The InChIKey is XBDYVAOUGWRBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO/c1-6-2-3-7-9(10,11)4-5-12(7)8(6)13/h2-3H,4-5H2,1H3.
What are the key properties of 1,1-difluoro-6-methyl-2,3-dihydroindolizin-5-one?
1,1-difluoro-6-methyl-2,3-dihydroindolizin-5-one has a molecular weight of 185.17 g/mol, XLogP of 1.65, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-6-methyl-2,3-dihydroindolizin-5-one is sourced from PubChem (CID 122633859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).