2-(4-fluorophenyl)-1-(1H-indol-3-yl)ethanone

C16H12FNO — CID 43339236

IUPAC2-(4-fluorophenyl)-1-(1H-indol-3-yl)ethanone
SMILESO=C(Cc1ccc(F)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C16H12FNO/c17-12-7-5-11(6-8-12)9-16(19)14-10-18-15-4-2-1-3-13(14)15/h1-8,10,18H,9H2
InChIKeyNYHQQUBWCPDDOP-UHFFFAOYSA-N
MW253.28 g/mol
LogP3.73
Rot. Bonds3

About 2-(4-fluorophenyl)-1-(1H-indol-3-yl)ethanone

2-(4-fluorophenyl)-1-(1H-indol-3-yl)ethanone (PubChem CID 43339236) has the molecular formula C16H12FNO and a molecular weight of 253.28 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-(1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-(1H-indol-3-yl)ethanone
PubChem CID43339236
Molecular FormulaC16H12FNO
Molecular Weight253.28 g/mol
Exact Mass253.09
IUPAC Name2-(4-fluorophenyl)-1-(1H-indol-3-yl)ethanone
SMILESO=C(Cc1ccc(F)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C16H12FNO/c17-12-7-5-11(6-8-12)9-16(19)14-10-18-15-4-2-1-3-13(14)15/h1-8,10,18H,9H2
InChIKeyNYHQQUBWCPDDOP-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

2-(3-fluorophenyl)-1-(1H-indol-3-yl)ethanone
CID 43339255
1-(5-fluoro-1H-indol-3-yl)-2-(4-fluorophenyl)ethanone
CID 63841273
2-(2-fluorophenyl)-1-(1H-indol-3-yl)ethanone
CID 43339237
2-[2-(4-fluorophenyl)ethylamino]-1-(1H-indol-3-yl)ethanone
CID 110655218
2-(3,4-dichlorophenyl)-1-(1H-indol-3-yl)ethanone
CID 63490590
2-fluoro-1-(1H-indol-3-yl)ethanone
CID 174847348
2-(4-fluoroanilino)-1-(1H-indol-3-yl)ethanone
CID 110655257
1-(1H-indol-3-yl)-2-(3-methylphenyl)ethanone
CID 588980
1-(7-ethyl-1H-indol-3-yl)-2-(4-fluorophenyl)ethanone
CID 43339295
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(4-fluorophenyl)acetate
CID 8612958
2-bromo-1-(1H-indol-3-yl)ethanone
CID 11310936
[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-(4-fluorophenyl)acetate
CID 3574939

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-(1H-indol-3-yl)ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-(1H-indol-3-yl)ethanone (CID 43339236) is 2-(4-fluorophenyl)-1-(1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-(1H-indol-3-yl)ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-(1H-indol-3-yl)ethanone is O=C(Cc1ccc(F)cc1)c1c[nH]c2ccccc12.
What is the InChIKey of 2-(4-fluorophenyl)-1-(1H-indol-3-yl)ethanone?
The InChIKey is NYHQQUBWCPDDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO/c17-12-7-5-11(6-8-12)9-16(19)14-10-18-15-4-2-1-3-13(14)15/h1-8,10,18H,9H2.
What are the key properties of 2-(4-fluorophenyl)-1-(1H-indol-3-yl)ethanone?
2-(4-fluorophenyl)-1-(1H-indol-3-yl)ethanone 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 2-(4-fluorophenyl)-1-(1H-indol-3-yl)ethanone is sourced from PubChem (CID 43339236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).