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

C16H9F4NO — CID 11162587

IUPAC[2-fluoro-1-(trifluoromethyl)indolizin-3-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1c(F)c(C(F)(F)F)c2ccccn12
InChIInChI=1S/C16H9F4NO/c17-13-12(16(18,19)20)11-8-4-5-9-21(11)14(13)15(22)10-6-2-1-3-7-10/h1-9H
InChIKeyVXVOFUQGBQXDKB-UHFFFAOYSA-N
MW307.25 g/mol
LogP4.33
Rot. Bonds2

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

[2-fluoro-1-(trifluoromethyl)indolizin-3-yl]-phenylmethanone (PubChem CID 11162587) has the molecular formula C16H9F4NO and a molecular weight of 307.25 g/mol. Its IUPAC name is [2-fluoro-1-(trifluoromethyl)indolizin-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-fluoro-1-(trifluoromethyl)indolizin-3-yl]-phenylmethanone
PubChem CID11162587
Molecular FormulaC16H9F4NO
Molecular Weight307.25 g/mol
Exact Mass307.06
IUPAC Name[2-fluoro-1-(trifluoromethyl)indolizin-3-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1c(F)c(C(F)(F)F)c2ccccn12
InChIInChI=1S/C16H9F4NO/c17-13-12(16(18,19)20)11-8-4-5-9-21(11)14(13)15(22)10-6-2-1-3-7-10/h1-9H
InChIKeyVXVOFUQGBQXDKB-UHFFFAOYSA-N
XLogP4.33
TPSA21.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.25
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Benzoylpyridine
CID 7038
2-(2-fluorophenyl)-1-(1-pentyl-1H-indol-3-yl)ethanone
CID 44397516
2-Phenyl-1-(pyridin-2-yl)ethan-1-one
CID 256073
1-Methyl-3-(trifluoroacetyl)-1H-indole
CID 3524388
2-(3-fluorophenyl)-1-(1-pentyl-1H-indol-3-yl)ethanone
CID 44397383
2-(4-fluorophenyl)-1-(1-pentyl-1H-indol-3-yl)ethanone
CID 44397491
2-Amino-3-(4-fluorobenzoyl)indolizine-1-carboxamide
CID 5306648
N-(1-cyano-1-methylethyl)-2-oxo-2-(2-phenyl-3-indolizinyl)acetamide
CID 1566182
(1-Methylindol-3-yl)-phenylmethanone
CID 899817
2-Chloro-1-[3-(4-fluoro-benzoyl)-2-methyl-indolizin-1-yl]-ethanone
CID 2432596
1-(1H-Indol-2-yl)-2-pyridin-3-yl-ethanone
CID 852498
1-[1-(Pyridin-2-Yl)indolizin-3-Yl]ethan-1-One
CID 54759170

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-1-(trifluoromethyl)indolizin-3-yl]-phenylmethanone?
The IUPAC name of [2-fluoro-1-(trifluoromethyl)indolizin-3-yl]-phenylmethanone (CID 11162587) is [2-fluoro-1-(trifluoromethyl)indolizin-3-yl]-phenylmethanone.
What is the SMILES notation for [2-fluoro-1-(trifluoromethyl)indolizin-3-yl]-phenylmethanone?
The canonical SMILES for [2-fluoro-1-(trifluoromethyl)indolizin-3-yl]-phenylmethanone is O=C(c1ccccc1)c1c(F)c(C(F)(F)F)c2ccccn12.
What is the InChIKey of [2-fluoro-1-(trifluoromethyl)indolizin-3-yl]-phenylmethanone?
The InChIKey is VXVOFUQGBQXDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F4NO/c17-13-12(16(18,19)20)11-8-4-5-9-21(11)14(13)15(22)10-6-2-1-3-7-10/h1-9H.
What are the key properties of [2-fluoro-1-(trifluoromethyl)indolizin-3-yl]-phenylmethanone?
[2-fluoro-1-(trifluoromethyl)indolizin-3-yl]-phenylmethanone has a molecular weight of 307.25 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-1-(trifluoromethyl)indolizin-3-yl]-phenylmethanone is sourced from PubChem (CID 11162587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).