(2-ethyl-8-phenylmethoxyindolizin-3-yl)-[2-(trifluoromethyl)phenyl]methanone

C25H20F3NO2 — CID 70345685

IUPAC(2-ethyl-8-phenylmethoxyindolizin-3-yl)-[2-(trifluoromethyl)phenyl]methanone
SMILESCCc1cc2c(OCc3ccccc3)cccn2c1C(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C25H20F3NO2/c1-2-18-15-21-22(31-16-17-9-4-3-5-10-17)13-8-14-29(21)23(18)24(30)19-11-6-7-12-20(19)25(26,27)28/h3-15H,2,16H2,1H3
InChIKeyQYSLWDWHWZDYKX-UHFFFAOYSA-N
MW423.43 g/mol
LogP6.33
Rot. Bonds6

About (2-ethyl-8-phenylmethoxyindolizin-3-yl)-[2-(trifluoromethyl)phenyl]methanone

(2-ethyl-8-phenylmethoxyindolizin-3-yl)-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 70345685) has the molecular formula C25H20F3NO2 and a molecular weight of 423.43 g/mol. Its IUPAC name is (2-ethyl-8-phenylmethoxyindolizin-3-yl)-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(2-ethyl-8-phenylmethoxyindolizin-3-yl)-[2-(trifluoromethyl)phenyl]methanone
PubChem CID70345685
Molecular FormulaC25H20F3NO2
Molecular Weight423.43 g/mol
Exact Mass423.14
IUPAC Name(2-ethyl-8-phenylmethoxyindolizin-3-yl)-[2-(trifluoromethyl)phenyl]methanone
SMILESCCc1cc2c(OCc3ccccc3)cccn2c1C(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C25H20F3NO2/c1-2-18-15-21-22(31-16-17-9-4-3-5-10-17)13-8-14-29(21)23(18)24(30)19-11-6-7-12-20(19)25(26,27)28/h3-15H,2,16H2,1H3
InChIKeyQYSLWDWHWZDYKX-UHFFFAOYSA-N
XLogP6.33
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.43
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-ethyl-8-phenylmethoxyindolizin-3-yl)-[2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (2-ethyl-8-phenylmethoxyindolizin-3-yl)-[2-(trifluoromethyl)phenyl]methanone (CID 70345685) is (2-ethyl-8-phenylmethoxyindolizin-3-yl)-[2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (2-ethyl-8-phenylmethoxyindolizin-3-yl)-[2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (2-ethyl-8-phenylmethoxyindolizin-3-yl)-[2-(trifluoromethyl)phenyl]methanone is CCc1cc2c(OCc3ccccc3)cccn2c1C(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of (2-ethyl-8-phenylmethoxyindolizin-3-yl)-[2-(trifluoromethyl)phenyl]methanone?
The InChIKey is QYSLWDWHWZDYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3NO2/c1-2-18-15-21-22(31-16-17-9-4-3-5-10-17)13-8-14-29(21)23(18)24(30)19-11-6-7-12-20(19)25(26,27)28/h3-15H,2,16H2,1H3.
What are the key properties of (2-ethyl-8-phenylmethoxyindolizin-3-yl)-[2-(trifluoromethyl)phenyl]methanone?
(2-ethyl-8-phenylmethoxyindolizin-3-yl)-[2-(trifluoromethyl)phenyl]methanone has a molecular weight of 423.43 g/mol, XLogP of 6.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-8-phenylmethoxyindolizin-3-yl)-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 70345685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).