1-fluoro-1,6-dimethyl-8-propan-2-yl-2,3-dihydroindolizin-5-one

C13H18FNO — CID 126608823

IUPAC1-fluoro-1,6-dimethyl-8-propan-2-yl-2,3-dihydroindolizin-5-one
SMILESCc1cc(C(C)C)c2n(c1=O)CCC2(C)F
InChIInChI=1S/C13H18FNO/c1-8(2)10-7-9(3)12(16)15-6-5-13(4,14)11(10)15/h7-8H,5-6H2,1-4H3
InChIKeyWSBKHIILTNELJX-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.87
Rot. Bonds1

About 1-fluoro-1,6-dimethyl-8-propan-2-yl-2,3-dihydroindolizin-5-one

1-fluoro-1,6-dimethyl-8-propan-2-yl-2,3-dihydroindolizin-5-one (PubChem CID 126608823) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 1-fluoro-1,6-dimethyl-8-propan-2-yl-2,3-dihydroindolizin-5-one.

Molecular Properties

Compound Name1-fluoro-1,6-dimethyl-8-propan-2-yl-2,3-dihydroindolizin-5-one
PubChem CID126608823
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name1-fluoro-1,6-dimethyl-8-propan-2-yl-2,3-dihydroindolizin-5-one
SMILESCc1cc(C(C)C)c2n(c1=O)CCC2(C)F
InChIInChI=1S/C13H18FNO/c1-8(2)10-7-9(3)12(16)15-6-5-13(4,14)11(10)15/h7-8H,5-6H2,1-4H3
InChIKeyWSBKHIILTNELJX-UHFFFAOYSA-N
XLogP2.87
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-1,6-dimethyl-8-propan-2-yl-2,3-dihydroindolizin-5-one?
The IUPAC name of 1-fluoro-1,6-dimethyl-8-propan-2-yl-2,3-dihydroindolizin-5-one (CID 126608823) is 1-fluoro-1,6-dimethyl-8-propan-2-yl-2,3-dihydroindolizin-5-one.
What is the SMILES notation for 1-fluoro-1,6-dimethyl-8-propan-2-yl-2,3-dihydroindolizin-5-one?
The canonical SMILES for 1-fluoro-1,6-dimethyl-8-propan-2-yl-2,3-dihydroindolizin-5-one is Cc1cc(C(C)C)c2n(c1=O)CCC2(C)F.
What is the InChIKey of 1-fluoro-1,6-dimethyl-8-propan-2-yl-2,3-dihydroindolizin-5-one?
The InChIKey is WSBKHIILTNELJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-8(2)10-7-9(3)12(16)15-6-5-13(4,14)11(10)15/h7-8H,5-6H2,1-4H3.
What are the key properties of 1-fluoro-1,6-dimethyl-8-propan-2-yl-2,3-dihydroindolizin-5-one?
1-fluoro-1,6-dimethyl-8-propan-2-yl-2,3-dihydroindolizin-5-one has a molecular weight of 223.29 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-1,6-dimethyl-8-propan-2-yl-2,3-dihydroindolizin-5-one is sourced from PubChem (CID 126608823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).