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

C10H11F2NO — CID 122633273

IUPAC1,1-difluoro-6,8-dimethyl-2,3-dihydroindolizin-5-one
SMILESCc1cc(C)c(=O)n2c1C(F)(F)CC2
InChIInChI=1S/C10H11F2NO/c1-6-5-7(2)9(14)13-4-3-10(11,12)8(6)13/h5H,3-4H2,1-2H3
InChIKeyANLMSCBXWIHRSG-UHFFFAOYSA-N
MW199.20 g/mol
LogP1.96
Rot. Bonds

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

1,1-difluoro-6,8-dimethyl-2,3-dihydroindolizin-5-one (PubChem CID 122633273) has the molecular formula C10H11F2NO and a molecular weight of 199.20 g/mol. Its IUPAC name is 1,1-difluoro-6,8-dimethyl-2,3-dihydroindolizin-5-one.

Molecular Properties

Compound Name1,1-difluoro-6,8-dimethyl-2,3-dihydroindolizin-5-one
PubChem CID122633273
Molecular FormulaC10H11F2NO
Molecular Weight199.20 g/mol
Exact Mass199.08
IUPAC Name1,1-difluoro-6,8-dimethyl-2,3-dihydroindolizin-5-one
SMILESCc1cc(C)c(=O)n2c1C(F)(F)CC2
InChIInChI=1S/C10H11F2NO/c1-6-5-7(2)9(14)13-4-3-10(11,12)8(6)13/h5H,3-4H2,1-2H3
InChIKeyANLMSCBXWIHRSG-UHFFFAOYSA-N
XLogP1.96
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.20
LogP ≤ 51.96
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?
The IUPAC name of 1,1-difluoro-6,8-dimethyl-2,3-dihydroindolizin-5-one (CID 122633273) is 1,1-difluoro-6,8-dimethyl-2,3-dihydroindolizin-5-one.
What is the SMILES notation for 1,1-difluoro-6,8-dimethyl-2,3-dihydroindolizin-5-one?
The canonical SMILES for 1,1-difluoro-6,8-dimethyl-2,3-dihydroindolizin-5-one is Cc1cc(C)c(=O)n2c1C(F)(F)CC2.
What is the InChIKey of 1,1-difluoro-6,8-dimethyl-2,3-dihydroindolizin-5-one?
The InChIKey is ANLMSCBXWIHRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO/c1-6-5-7(2)9(14)13-4-3-10(11,12)8(6)13/h5H,3-4H2,1-2H3.
What are the key properties of 1,1-difluoro-6,8-dimethyl-2,3-dihydroindolizin-5-one?
1,1-difluoro-6,8-dimethyl-2,3-dihydroindolizin-5-one has a molecular weight of 199.20 g/mol, XLogP of 1.96, 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 is sourced from PubChem (CID 122633273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).