2,2-difluoro-5,5,8a-trimethyl-1,3,6,8-tetrahydroindolizin-7-one

C11H17F2NO — CID 144718289

IUPAC2,2-difluoro-5,5,8a-trimethyl-1,3,6,8-tetrahydroindolizin-7-one
SMILESCC1(C)CC(=O)CC2(C)CC(F)(F)CN12
InChIInChI=1S/C11H17F2NO/c1-9(2)4-8(15)5-10(3)6-11(12,13)7-14(9)10/h4-7H2,1-3H3
InChIKeyOUAQDHUFQZMBHU-UHFFFAOYSA-N
MW217.26 g/mol
LogP2.23
Rot. Bonds

About 2,2-difluoro-5,5,8a-trimethyl-1,3,6,8-tetrahydroindolizin-7-one

2,2-difluoro-5,5,8a-trimethyl-1,3,6,8-tetrahydroindolizin-7-one (PubChem CID 144718289) has the molecular formula C11H17F2NO and a molecular weight of 217.26 g/mol. Its IUPAC name is 2,2-difluoro-5,5,8a-trimethyl-1,3,6,8-tetrahydroindolizin-7-one.

Molecular Properties

Compound Name2,2-difluoro-5,5,8a-trimethyl-1,3,6,8-tetrahydroindolizin-7-one
PubChem CID144718289
Molecular FormulaC11H17F2NO
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name2,2-difluoro-5,5,8a-trimethyl-1,3,6,8-tetrahydroindolizin-7-one
SMILESCC1(C)CC(=O)CC2(C)CC(F)(F)CN12
InChIInChI=1S/C11H17F2NO/c1-9(2)4-8(15)5-10(3)6-11(12,13)7-14(9)10/h4-7H2,1-3H3
InChIKeyOUAQDHUFQZMBHU-UHFFFAOYSA-N
XLogP2.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-5,5,8a-trimethyl-1,3,6,8-tetrahydroindolizin-7-one?
The IUPAC name of 2,2-difluoro-5,5,8a-trimethyl-1,3,6,8-tetrahydroindolizin-7-one (CID 144718289) is 2,2-difluoro-5,5,8a-trimethyl-1,3,6,8-tetrahydroindolizin-7-one.
What is the SMILES notation for 2,2-difluoro-5,5,8a-trimethyl-1,3,6,8-tetrahydroindolizin-7-one?
The canonical SMILES for 2,2-difluoro-5,5,8a-trimethyl-1,3,6,8-tetrahydroindolizin-7-one is CC1(C)CC(=O)CC2(C)CC(F)(F)CN12.
What is the InChIKey of 2,2-difluoro-5,5,8a-trimethyl-1,3,6,8-tetrahydroindolizin-7-one?
The InChIKey is OUAQDHUFQZMBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2NO/c1-9(2)4-8(15)5-10(3)6-11(12,13)7-14(9)10/h4-7H2,1-3H3.
What are the key properties of 2,2-difluoro-5,5,8a-trimethyl-1,3,6,8-tetrahydroindolizin-7-one?
2,2-difluoro-5,5,8a-trimethyl-1,3,6,8-tetrahydroindolizin-7-one has a molecular weight of 217.26 g/mol, XLogP of 2.23, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-5,5,8a-trimethyl-1,3,6,8-tetrahydroindolizin-7-one is sourced from PubChem (CID 144718289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).