4-(3-fluoro-2-oxo-1H-indol-3-yl)butyl acetate

C14H16FNO3 — CID 101031126

IUPAC4-(3-fluoro-2-oxo-1H-indol-3-yl)butyl acetate
SMILESCC(=O)OCCCCC1(F)C(=O)Nc2ccccc21
InChIInChI=1S/C14H16FNO3/c1-10(17)19-9-5-4-8-14(15)11-6-2-3-7-12(11)16-13(14)18/h2-3,6-7H,4-5,8-9H2,1H3,(H,16,18)
InChIKeyLNDZSFIBCOVDAO-UHFFFAOYSA-N
MW265.28 g/mol
LogP2.54
Rot. Bonds5

About 4-(3-fluoro-2-oxo-1H-indol-3-yl)butyl acetate

4-(3-fluoro-2-oxo-1H-indol-3-yl)butyl acetate (PubChem CID 101031126) has the molecular formula C14H16FNO3 and a molecular weight of 265.28 g/mol. Its IUPAC name is 4-(3-fluoro-2-oxo-1H-indol-3-yl)butyl acetate.

Molecular Properties

Compound Name4-(3-fluoro-2-oxo-1H-indol-3-yl)butyl acetate
PubChem CID101031126
Molecular FormulaC14H16FNO3
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name4-(3-fluoro-2-oxo-1H-indol-3-yl)butyl acetate
SMILESCC(=O)OCCCCC1(F)C(=O)Nc2ccccc21
InChIInChI=1S/C14H16FNO3/c1-10(17)19-9-5-4-8-14(15)11-6-2-3-7-12(11)16-13(14)18/h2-3,6-7H,4-5,8-9H2,1H3,(H,16,18)
InChIKeyLNDZSFIBCOVDAO-UHFFFAOYSA-N
XLogP2.54
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-fluoro-2-oxo-1H-indole-3-carboxylate
CID 11195429
3-hydroxy-3-octyl-1H-indol-2-one
CID 83036797
2-[2-(3-fluoro-2-oxo-1H-indol-3-yl)ethyl]isoindole-1,3-dione
CID 11012759
3-fluoro-3-heptyl-1H-quinoline-2,4-dione
CID 2784364
3-[(4-bromophenyl)methyl]-3-fluoro-1H-indol-2-one
CID 71619697
11-acetyloxyundecyl acetate
CID 87784419
2-[(3S)-3-amino-2-oxo-1H-indol-3-yl]acetic acid
CID 134861638
3-fluoro-3-[2-(2-phenylethylamino)ethyl]-1H-indol-2-one
CID 101057345
3-acetyl-3-(2-ethoxyethyl)-1H-indol-2-one
CID 13287103
ethyl (2R)-2-acetyloxy-2-[(3R)-3-[(4-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]acetate
CID 56837652
ethane;ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2-oxo-1H-indol-3-yl]acetate
CID 143412734
dimethyl 2-[(3R)-3-[2-(methoxymethoxy)ethyl]-2-oxo-1H-indol-3-yl]propanedioate
CID 154719068

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-2-oxo-1H-indol-3-yl)butyl acetate?
The IUPAC name of 4-(3-fluoro-2-oxo-1H-indol-3-yl)butyl acetate (CID 101031126) is 4-(3-fluoro-2-oxo-1H-indol-3-yl)butyl acetate.
What is the SMILES notation for 4-(3-fluoro-2-oxo-1H-indol-3-yl)butyl acetate?
The canonical SMILES for 4-(3-fluoro-2-oxo-1H-indol-3-yl)butyl acetate is CC(=O)OCCCCC1(F)C(=O)Nc2ccccc21.
What is the InChIKey of 4-(3-fluoro-2-oxo-1H-indol-3-yl)butyl acetate?
The InChIKey is LNDZSFIBCOVDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3/c1-10(17)19-9-5-4-8-14(15)11-6-2-3-7-12(11)16-13(14)18/h2-3,6-7H,4-5,8-9H2,1H3,(H,16,18).
What are the key properties of 4-(3-fluoro-2-oxo-1H-indol-3-yl)butyl acetate?
4-(3-fluoro-2-oxo-1H-indol-3-yl)butyl acetate has a molecular weight of 265.28 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-2-oxo-1H-indol-3-yl)butyl acetate is sourced from PubChem (CID 101031126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).