1,1-difluoro-6,8-dimethyl-2,3-dihydroindolizin-5-one;ethane

C12H17F2NO — CID 145172236

IUPAC1,1-difluoro-6,8-dimethyl-2,3-dihydroindolizin-5-one;ethane
SMILESCC.Cc1cc(C)c(=O)n2c1C(F)(F)CC2
InChIInChI=1S/C10H11F2NO.C2H6/c1-6-5-7(2)9(14)13-4-3-10(11,12)8(6)13;1-2/h5H,3-4H2,1-2H3;1-2H3
InChIKeyGEQRIMOAFKSDMQ-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.99
Rot. Bonds

About 1,1-difluoro-6,8-dimethyl-2,3-dihydroindolizin-5-one;ethane

1,1-difluoro-6,8-dimethyl-2,3-dihydroindolizin-5-one;ethane (PubChem CID 145172236) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is 1,1-difluoro-6,8-dimethyl-2,3-dihydroindolizin-5-one;ethane.

Molecular Properties

Compound Name1,1-difluoro-6,8-dimethyl-2,3-dihydroindolizin-5-one;ethane
PubChem CID145172236
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC Name1,1-difluoro-6,8-dimethyl-2,3-dihydroindolizin-5-one;ethane
SMILESCC.Cc1cc(C)c(=O)n2c1C(F)(F)CC2
InChIInChI=1S/C10H11F2NO.C2H6/c1-6-5-7(2)9(14)13-4-3-10(11,12)8(6)13;1-2/h5H,3-4H2,1-2H3;1-2H3
InChIKeyGEQRIMOAFKSDMQ-UHFFFAOYSA-N
XLogP2.99
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-6,8-dimethyl-2,3-dihydroindolizin-5-one;ethane?
The IUPAC name of 1,1-difluoro-6,8-dimethyl-2,3-dihydroindolizin-5-one;ethane (CID 145172236) is 1,1-difluoro-6,8-dimethyl-2,3-dihydroindolizin-5-one;ethane.
What is the SMILES notation for 1,1-difluoro-6,8-dimethyl-2,3-dihydroindolizin-5-one;ethane?
The canonical SMILES for 1,1-difluoro-6,8-dimethyl-2,3-dihydroindolizin-5-one;ethane is CC.Cc1cc(C)c(=O)n2c1C(F)(F)CC2.
What is the InChIKey of 1,1-difluoro-6,8-dimethyl-2,3-dihydroindolizin-5-one;ethane?
The InChIKey is GEQRIMOAFKSDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO.C2H6/c1-6-5-7(2)9(14)13-4-3-10(11,12)8(6)13;1-2/h5H,3-4H2,1-2H3;1-2H3.
What are the key properties of 1,1-difluoro-6,8-dimethyl-2,3-dihydroindolizin-5-one;ethane?
1,1-difluoro-6,8-dimethyl-2,3-dihydroindolizin-5-one;ethane has a molecular weight of 229.27 g/mol, XLogP of 2.99, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-6,8-dimethyl-2,3-dihydroindolizin-5-one;ethane is sourced from PubChem (CID 145172236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).