(1,2-difluoroindolizin-3-yl)-phenylmethanone

C15H9F2NO — CID 12008327

IUPAC(1,2-difluoroindolizin-3-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1c(F)c(F)c2ccccn12
InChIInChI=1S/C15H9F2NO/c16-12-11-8-4-5-9-18(11)14(13(12)17)15(19)10-6-2-1-3-7-10/h1-9H
InChIKeyCLXSVKWVTPWXKS-UHFFFAOYSA-N
MW257.24 g/mol
LogP3.45
Rot. Bonds2

About (1,2-difluoroindolizin-3-yl)-phenylmethanone

(1,2-difluoroindolizin-3-yl)-phenylmethanone (PubChem CID 12008327) has the molecular formula C15H9F2NO and a molecular weight of 257.24 g/mol. Its IUPAC name is (1,2-difluoroindolizin-3-yl)-phenylmethanone.

Molecular Properties

Compound Name(1,2-difluoroindolizin-3-yl)-phenylmethanone
PubChem CID12008327
Molecular FormulaC15H9F2NO
Molecular Weight257.24 g/mol
Exact Mass257.07
IUPAC Name(1,2-difluoroindolizin-3-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1c(F)c(F)c2ccccn12
InChIInChI=1S/C15H9F2NO/c16-12-11-8-4-5-9-18(11)14(13(12)17)15(19)10-6-2-1-3-7-10/h1-9H
InChIKeyCLXSVKWVTPWXKS-UHFFFAOYSA-N
XLogP3.45
TPSA21.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

AM-694
CID 9889172
2-Benzoylpyridine
CID 7038
2-(2-fluorophenyl)-1-(1-pentyl-1H-indol-3-yl)ethanone
CID 44397516
1H-Indol-1-ylphenylmethanone
CID 200283
1-(1-Methyl-1H-indol-3-yl)ethanone
CID 594156
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-[(2,4-Difluorophenyl)methyl]pyrrolo[2,3-c]pyridine-5-carbohydroxamic acid
CID 9948363

Frequently Asked Questions

What is the IUPAC name of (1,2-difluoroindolizin-3-yl)-phenylmethanone?
The IUPAC name of (1,2-difluoroindolizin-3-yl)-phenylmethanone (CID 12008327) is (1,2-difluoroindolizin-3-yl)-phenylmethanone.
What is the SMILES notation for (1,2-difluoroindolizin-3-yl)-phenylmethanone?
The canonical SMILES for (1,2-difluoroindolizin-3-yl)-phenylmethanone is O=C(c1ccccc1)c1c(F)c(F)c2ccccn12.
What is the InChIKey of (1,2-difluoroindolizin-3-yl)-phenylmethanone?
The InChIKey is CLXSVKWVTPWXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F2NO/c16-12-11-8-4-5-9-18(11)14(13(12)17)15(19)10-6-2-1-3-7-10/h1-9H.
What are the key properties of (1,2-difluoroindolizin-3-yl)-phenylmethanone?
(1,2-difluoroindolizin-3-yl)-phenylmethanone has a molecular weight of 257.24 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-difluoroindolizin-3-yl)-phenylmethanone is sourced from PubChem (CID 12008327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).