2,2,2-trifluoro-1-(2-methylindolizin-3-yl)ethanone

C11H8F3NO — CID 2322067

IUPAC2,2,2-trifluoro-1-(2-methylindolizin-3-yl)ethanone
SMILESCc1cc2ccccn2c1C(=O)C(F)(F)F
InChIInChI=1S/C11H8F3NO/c1-7-6-8-4-2-3-5-15(8)9(7)10(16)11(12,13)14/h2-6H,1H3
InChIKeyBQBFZNVCQSRADE-UHFFFAOYSA-N
MW227.19 g/mol
LogP2.99
Rot. Bonds1

About 2,2,2-trifluoro-1-(2-methylindolizin-3-yl)ethanone

2,2,2-trifluoro-1-(2-methylindolizin-3-yl)ethanone (PubChem CID 2322067) has the molecular formula C11H8F3NO and a molecular weight of 227.19 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(2-methylindolizin-3-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(2-methylindolizin-3-yl)ethanone
PubChem CID2322067
Molecular FormulaC11H8F3NO
Molecular Weight227.19 g/mol
Exact Mass227.06
IUPAC Name2,2,2-trifluoro-1-(2-methylindolizin-3-yl)ethanone
SMILESCc1cc2ccccn2c1C(=O)C(F)(F)F
InChIInChI=1S/C11H8F3NO/c1-7-6-8-4-2-3-5-15(8)9(7)10(16)11(12,13)14/h2-6H,1H3
InChIKeyBQBFZNVCQSRADE-UHFFFAOYSA-N
XLogP2.99
TPSA21.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.19
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(2-methylindolizin-3-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(2-methylindolizin-3-yl)ethanone (CID 2322067) is 2,2,2-trifluoro-1-(2-methylindolizin-3-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(2-methylindolizin-3-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(2-methylindolizin-3-yl)ethanone is Cc1cc2ccccn2c1C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(2-methylindolizin-3-yl)ethanone?
The InChIKey is BQBFZNVCQSRADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NO/c1-7-6-8-4-2-3-5-15(8)9(7)10(16)11(12,13)14/h2-6H,1H3.
What are the key properties of 2,2,2-trifluoro-1-(2-methylindolizin-3-yl)ethanone?
2,2,2-trifluoro-1-(2-methylindolizin-3-yl)ethanone has a molecular weight of 227.19 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(2-methylindolizin-3-yl)ethanone is sourced from PubChem (CID 2322067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).