4-(1-acetyl-6-fluoro-2,3-dihydroindol-7-yl)butan-2-one

C14H16FNO2 — CID 122217871

IUPAC4-(1-acetyl-6-fluoro-2,3-dihydroindol-7-yl)butan-2-one
SMILESCC(=O)CCc1c(F)ccc2c1N(C(C)=O)CC2
InChIInChI=1S/C14H16FNO2/c1-9(17)3-5-12-13(15)6-4-11-7-8-16(10(2)18)14(11)12/h4,6H,3,5,7-8H2,1-2H3
InChIKeyGMSAZDHCODFDTE-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.26
Rot. Bonds3

About 4-(1-acetyl-6-fluoro-2,3-dihydroindol-7-yl)butan-2-one

4-(1-acetyl-6-fluoro-2,3-dihydroindol-7-yl)butan-2-one (PubChem CID 122217871) has the molecular formula C14H16FNO2 and a molecular weight of 249.28 g/mol. Its IUPAC name is 4-(1-acetyl-6-fluoro-2,3-dihydroindol-7-yl)butan-2-one.

Molecular Properties

Compound Name4-(1-acetyl-6-fluoro-2,3-dihydroindol-7-yl)butan-2-one
PubChem CID122217871
Molecular FormulaC14H16FNO2
Molecular Weight249.28 g/mol
Exact Mass249.12
IUPAC Name4-(1-acetyl-6-fluoro-2,3-dihydroindol-7-yl)butan-2-one
SMILESCC(=O)CCc1c(F)ccc2c1N(C(C)=O)CC2
InChIInChI=1S/C14H16FNO2/c1-9(17)3-5-12-13(15)6-4-11-7-8-16(10(2)18)14(11)12/h4,6H,3,5,7-8H2,1-2H3
InChIKeyGMSAZDHCODFDTE-UHFFFAOYSA-N
XLogP2.26
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-ethyl-2,3-dihydroindol-1-yl)ethanone
CID 101108036
1-(6-bromo-7-iodo-2,3-dihydroindol-1-yl)ethanone
CID 14059145
1-(4-fluoro-7-nitro-2,3-dihydroindol-1-yl)ethanone
CID 156632941
3-(6,7-difluoro-2,3-dihydroindol-1-yl)-3-oxopropanenitrile
CID 126790730
1-(1-acetyl-2,3-dihydroindol-7-yl)-3-(2,4-difluorophenyl)urea
CID 3415037
2-(6,7-difluoro-2,3-dihydroindol-1-yl)acetamide
CID 126790740
N-(1-acetyl-2,3-dihydroindol-7-yl)-3-pyridin-4-ylpropanamide
CID 112537187
1-(6-isocyano-2,3-dihydroindol-1-yl)ethanone
CID 59468783
methyl 7-fluoro-2,3-dihydroindole-1-carboxylate
CID 110725158
1-acetyl-2,3-dihydroindole-6-carboxylic acid
CID 82609550
1-[5-[2-(4-chlorophenyl)ethylamino]-2,3-dihydroindol-1-yl]ethanone
CID 110452236
N-(1-acetyl-2,3-dihydroindol-7-yl)-3-(4-methoxyphenyl)propanamide
CID 112537172

Frequently Asked Questions

What is the IUPAC name of 4-(1-acetyl-6-fluoro-2,3-dihydroindol-7-yl)butan-2-one?
The IUPAC name of 4-(1-acetyl-6-fluoro-2,3-dihydroindol-7-yl)butan-2-one (CID 122217871) is 4-(1-acetyl-6-fluoro-2,3-dihydroindol-7-yl)butan-2-one.
What is the SMILES notation for 4-(1-acetyl-6-fluoro-2,3-dihydroindol-7-yl)butan-2-one?
The canonical SMILES for 4-(1-acetyl-6-fluoro-2,3-dihydroindol-7-yl)butan-2-one is CC(=O)CCc1c(F)ccc2c1N(C(C)=O)CC2.
What is the InChIKey of 4-(1-acetyl-6-fluoro-2,3-dihydroindol-7-yl)butan-2-one?
The InChIKey is GMSAZDHCODFDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO2/c1-9(17)3-5-12-13(15)6-4-11-7-8-16(10(2)18)14(11)12/h4,6H,3,5,7-8H2,1-2H3.
What are the key properties of 4-(1-acetyl-6-fluoro-2,3-dihydroindol-7-yl)butan-2-one?
4-(1-acetyl-6-fluoro-2,3-dihydroindol-7-yl)butan-2-one has a molecular weight of 249.28 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-acetyl-6-fluoro-2,3-dihydroindol-7-yl)butan-2-one is sourced from PubChem (CID 122217871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).