1-[2-fluoro-1-(trifluoromethyl)indolizin-3-yl]ethanone

C11H7F4NO — CID 110282025

IUPAC1-[2-fluoro-1-(trifluoromethyl)indolizin-3-yl]ethanone
SMILESCC(=O)c1c(F)c(C(F)(F)F)c2ccccn12
InChIInChI=1S/C11H7F4NO/c1-6(17)10-9(12)8(11(13,14)15)7-4-2-3-5-16(7)10/h2-5H,1H3
InChIKeyVSPPLBNDIYJWHE-UHFFFAOYSA-N
MW245.18 g/mol
LogP3.30
Rot. Bonds1

About 1-[2-fluoro-1-(trifluoromethyl)indolizin-3-yl]ethanone

1-[2-fluoro-1-(trifluoromethyl)indolizin-3-yl]ethanone (PubChem CID 110282025) has the molecular formula C11H7F4NO and a molecular weight of 245.18 g/mol. Its IUPAC name is 1-[2-fluoro-1-(trifluoromethyl)indolizin-3-yl]ethanone.

Molecular Properties

Compound Name1-[2-fluoro-1-(trifluoromethyl)indolizin-3-yl]ethanone
PubChem CID110282025
Molecular FormulaC11H7F4NO
Molecular Weight245.18 g/mol
Exact Mass245.05
IUPAC Name1-[2-fluoro-1-(trifluoromethyl)indolizin-3-yl]ethanone
SMILESCC(=O)c1c(F)c(C(F)(F)F)c2ccccn12
InChIInChI=1S/C11H7F4NO/c1-6(17)10-9(12)8(11(13,14)15)7-4-2-3-5-16(7)10/h2-5H,1H3
InChIKeyVSPPLBNDIYJWHE-UHFFFAOYSA-N
XLogP3.30
TPSA21.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.18
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]ethanone
CID 82391274
1-(1-benzoyl-2-propylindolizin-3-yl)ethanone
CID 71679725
1-(2-tert-butylimidazo[1,2-a]pyridin-3-yl)ethanone
CID 84681820
1-(6-methylindolizino[1,2-c]quinolin-12-yl)ethanone
CID 135692550
1-[4-bromo-2-fluoro-3-(trifluoromethyl)phenyl]ethanone
CID 163339150
tert-butyl 2-acetyl-3-fluoroindole-1-carboxylate
CID 133054826
1-(1-chloroimidazo[1,5-a]pyridin-3-yl)ethanone
CID 83879180
1,3-bis(trifluoromethyl)indole-2-carboxamide
CID 118162026
[2-fluoro-1-(trifluoromethyl)pyrrolo[2,1-a]isoquinolin-3-yl]-phenylmethanone
CID 11337245
1-[3-bromo-6-fluoro-2-(trifluoromethyl)phenyl]ethanone
CID 131371837
2-[1-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]acetic acid
CID 86711675
(3-benzoyl-2-methylindolizin-1-yl)-dimethylsulfanium
CID 3578883

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-1-(trifluoromethyl)indolizin-3-yl]ethanone?
The IUPAC name of 1-[2-fluoro-1-(trifluoromethyl)indolizin-3-yl]ethanone (CID 110282025) is 1-[2-fluoro-1-(trifluoromethyl)indolizin-3-yl]ethanone.
What is the SMILES notation for 1-[2-fluoro-1-(trifluoromethyl)indolizin-3-yl]ethanone?
The canonical SMILES for 1-[2-fluoro-1-(trifluoromethyl)indolizin-3-yl]ethanone is CC(=O)c1c(F)c(C(F)(F)F)c2ccccn12.
What is the InChIKey of 1-[2-fluoro-1-(trifluoromethyl)indolizin-3-yl]ethanone?
The InChIKey is VSPPLBNDIYJWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F4NO/c1-6(17)10-9(12)8(11(13,14)15)7-4-2-3-5-16(7)10/h2-5H,1H3.
What are the key properties of 1-[2-fluoro-1-(trifluoromethyl)indolizin-3-yl]ethanone?
1-[2-fluoro-1-(trifluoromethyl)indolizin-3-yl]ethanone has a molecular weight of 245.18 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-1-(trifluoromethyl)indolizin-3-yl]ethanone is sourced from PubChem (CID 110282025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).