1-[2-(2-fluorophenyl)-1H-indol-3-yl]ethanone

C16H12FNO — CID 13381171

IUPAC1-[2-(2-fluorophenyl)-1H-indol-3-yl]ethanone
SMILESCC(=O)c1c(-c2ccccc2F)[nH]c2ccccc12
InChIInChI=1S/C16H12FNO/c1-10(19)15-12-7-3-5-9-14(12)18-16(15)11-6-2-4-8-13(11)17/h2-9,18H,1H3
InChIKeyIBRNDGXHPYBZHZ-UHFFFAOYSA-N
MW253.28 g/mol
LogP4.18
Rot. Bonds2

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

1-[2-(2-fluorophenyl)-1H-indol-3-yl]ethanone (PubChem CID 13381171) has the molecular formula C16H12FNO and a molecular weight of 253.28 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)-1H-indol-3-yl]ethanone.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)-1H-indol-3-yl]ethanone
PubChem CID13381171
Molecular FormulaC16H12FNO
Molecular Weight253.28 g/mol
Exact Mass253.09
IUPAC Name1-[2-(2-fluorophenyl)-1H-indol-3-yl]ethanone
SMILESCC(=O)c1c(-c2ccccc2F)[nH]c2ccccc12
InChIInChI=1S/C16H12FNO/c1-10(19)15-12-7-3-5-9-14(12)18-16(15)11-6-2-4-8-13(11)17/h2-9,18H,1H3
InChIKeyIBRNDGXHPYBZHZ-UHFFFAOYSA-N
XLogP4.18
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(NE)-N-[[2-(2-fluorophenyl)-1H-indol-3-yl]-phenylmethylidene]hydroxylamine
CID 135747054
1-[3-acetyl-2-(2-fluorophenyl)azulen-1-yl]ethanone
CID 157391831
1-(1H-indeno[2,1-b]pyridin-9-yl)ethanone
CID 13142702
3-acetyl-4-methyl-1H-quinolin-2-one
CID 102153269
3-(2-fluorophenyl)-4-hydroxy-1H-quinolin-2-one
CID 54714378
1-[2-fluoro-6-(4-fluorophenyl)phenyl]ethanone
CID 175686731
1-(6-methyl-2-phenyl-1H-indol-3-yl)ethanone
CID 139093839
1-[2-[ethyl(methyl)amino]-1H-indol-3-yl]ethanone
CID 115146258
1-(10-acetylanthracen-9-yl)ethanone
CID 12739255
(2-fluoro-1H-indol-3-yl)-phenylmethanone
CID 175455866
2-[5-ethoxy-2-(2-fluorophenyl)-1H-indol-3-yl]acetic acid
CID 4213558
1-(4-acetyl-2,3-dihydroxynaphthalen-1-yl)ethanone
CID 57373259

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)-1H-indol-3-yl]ethanone?
The IUPAC name of 1-[2-(2-fluorophenyl)-1H-indol-3-yl]ethanone (CID 13381171) is 1-[2-(2-fluorophenyl)-1H-indol-3-yl]ethanone.
What is the SMILES notation for 1-[2-(2-fluorophenyl)-1H-indol-3-yl]ethanone?
The canonical SMILES for 1-[2-(2-fluorophenyl)-1H-indol-3-yl]ethanone is CC(=O)c1c(-c2ccccc2F)[nH]c2ccccc12.
What is the InChIKey of 1-[2-(2-fluorophenyl)-1H-indol-3-yl]ethanone?
The InChIKey is IBRNDGXHPYBZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO/c1-10(19)15-12-7-3-5-9-14(12)18-16(15)11-6-2-4-8-13(11)17/h2-9,18H,1H3.
What are the key properties of 1-[2-(2-fluorophenyl)-1H-indol-3-yl]ethanone?
1-[2-(2-fluorophenyl)-1H-indol-3-yl]ethanone has a molecular weight of 253.28 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)-1H-indol-3-yl]ethanone is sourced from PubChem (CID 13381171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).