1-(4-fluoro-1H-indol-3-yl)-2-phenylethanone

C16H12FNO — CID 82792772

IUPAC1-(4-fluoro-1H-indol-3-yl)-2-phenylethanone
SMILESO=C(Cc1ccccc1)c1c[nH]c2cccc(F)c12
InChIInChI=1S/C16H12FNO/c17-13-7-4-8-14-16(13)12(10-18-14)15(19)9-11-5-2-1-3-6-11/h1-8,10,18H,9H2
InChIKeyZBLDLXUYLJOVEO-UHFFFAOYSA-N
MW253.28 g/mol
LogP3.73
Rot. Bonds3

About 1-(4-fluoro-1H-indol-3-yl)-2-phenylethanone

1-(4-fluoro-1H-indol-3-yl)-2-phenylethanone (PubChem CID 82792772) has the molecular formula C16H12FNO and a molecular weight of 253.28 g/mol. Its IUPAC name is 1-(4-fluoro-1H-indol-3-yl)-2-phenylethanone.

Molecular Properties

Compound Name1-(4-fluoro-1H-indol-3-yl)-2-phenylethanone
PubChem CID82792772
Molecular FormulaC16H12FNO
Molecular Weight253.28 g/mol
Exact Mass253.09
IUPAC Name1-(4-fluoro-1H-indol-3-yl)-2-phenylethanone
SMILESO=C(Cc1ccccc1)c1c[nH]c2cccc(F)c12
InChIInChI=1S/C16H12FNO/c17-13-7-4-8-14-16(13)12(10-18-14)15(19)9-11-5-2-1-3-6-11/h1-8,10,18H,9H2
InChIKeyZBLDLXUYLJOVEO-UHFFFAOYSA-N
XLogP3.73
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluoro-1H-indol-3-yl)butan-1-one
CID 82793339
2-(4-fluoro-1H-indole-3-carbonyl)benzoic acid
CID 82782160
2-(4-fluorophenyl)-1-(4-methoxy-1H-indol-3-yl)ethanone
CID 83164264
2-cyclohexyl-1-(4-fluoro-1H-indol-3-yl)ethanone
CID 82793212
1-(4-fluoro-1H-indol-3-yl)-2-methyl-2-phenylpropan-1-one
CID 82781940
2-(3-fluorophenyl)-1-(1H-indol-3-yl)ethanone
CID 43339255
1-(4-fluoro-1H-indol-3-yl)prop-2-en-1-one
CID 103522563
2-(4-fluorophenyl)-1-(1H-indol-3-yl)ethanone
CID 43339236
2-(2-fluorophenyl)-1-(1H-indol-3-yl)ethanone
CID 43339237
2-(3-ethoxycyclobutyl)-1-(4-fluoro-1H-indol-3-yl)ethanone
CID 103162576
4-(2-phenylethyl)-1H-indole-3-carboxylic acid
CID 174560063
(2-bromo-3-fluorophenyl)-(4-fluoro-1H-indol-3-yl)methanone
CID 82791826

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-1H-indol-3-yl)-2-phenylethanone?
The IUPAC name of 1-(4-fluoro-1H-indol-3-yl)-2-phenylethanone (CID 82792772) is 1-(4-fluoro-1H-indol-3-yl)-2-phenylethanone.
What is the SMILES notation for 1-(4-fluoro-1H-indol-3-yl)-2-phenylethanone?
The canonical SMILES for 1-(4-fluoro-1H-indol-3-yl)-2-phenylethanone is O=C(Cc1ccccc1)c1c[nH]c2cccc(F)c12.
What is the InChIKey of 1-(4-fluoro-1H-indol-3-yl)-2-phenylethanone?
The InChIKey is ZBLDLXUYLJOVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO/c17-13-7-4-8-14-16(13)12(10-18-14)15(19)9-11-5-2-1-3-6-11/h1-8,10,18H,9H2.
What are the key properties of 1-(4-fluoro-1H-indol-3-yl)-2-phenylethanone?
1-(4-fluoro-1H-indol-3-yl)-2-phenylethanone has a molecular weight of 253.28 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-1H-indol-3-yl)-2-phenylethanone is sourced from PubChem (CID 82792772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).