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

C12H15F2NO — CID 126608812

IUPAC1,1-difluoro-6-methyl-8-propan-2-yl-2,3-dihydroindolizin-5-one
SMILESCc1cc(C(C)C)c2n(c1=O)CCC2(F)F
InChIInChI=1S/C12H15F2NO/c1-7(2)9-6-8(3)11(16)15-5-4-12(13,14)10(9)15/h6-7H,4-5H2,1-3H3
InChIKeyXNEILIXDWCYGEN-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.78
Rot. Bonds1

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

1,1-difluoro-6-methyl-8-propan-2-yl-2,3-dihydroindolizin-5-one (PubChem CID 126608812) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is 1,1-difluoro-6-methyl-8-propan-2-yl-2,3-dihydroindolizin-5-one.

Molecular Properties

Compound Name1,1-difluoro-6-methyl-8-propan-2-yl-2,3-dihydroindolizin-5-one
PubChem CID126608812
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name1,1-difluoro-6-methyl-8-propan-2-yl-2,3-dihydroindolizin-5-one
SMILESCc1cc(C(C)C)c2n(c1=O)CCC2(F)F
InChIInChI=1S/C12H15F2NO/c1-7(2)9-6-8(3)11(16)15-5-4-12(13,14)10(9)15/h6-7H,4-5H2,1-3H3
InChIKeyXNEILIXDWCYGEN-UHFFFAOYSA-N
XLogP2.78
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 52.78
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-8-propan-2-yl-2,3-dihydroindolizin-5-one?
The IUPAC name of 1,1-difluoro-6-methyl-8-propan-2-yl-2,3-dihydroindolizin-5-one (CID 126608812) is 1,1-difluoro-6-methyl-8-propan-2-yl-2,3-dihydroindolizin-5-one.
What is the SMILES notation for 1,1-difluoro-6-methyl-8-propan-2-yl-2,3-dihydroindolizin-5-one?
The canonical SMILES for 1,1-difluoro-6-methyl-8-propan-2-yl-2,3-dihydroindolizin-5-one is Cc1cc(C(C)C)c2n(c1=O)CCC2(F)F.
What is the InChIKey of 1,1-difluoro-6-methyl-8-propan-2-yl-2,3-dihydroindolizin-5-one?
The InChIKey is XNEILIXDWCYGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c1-7(2)9-6-8(3)11(16)15-5-4-12(13,14)10(9)15/h6-7H,4-5H2,1-3H3.
What are the key properties of 1,1-difluoro-6-methyl-8-propan-2-yl-2,3-dihydroindolizin-5-one?
1,1-difluoro-6-methyl-8-propan-2-yl-2,3-dihydroindolizin-5-one has a molecular weight of 227.25 g/mol, XLogP of 2.78, 1 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-8-propan-2-yl-2,3-dihydroindolizin-5-one is sourced from PubChem (CID 126608812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).