2-[4-(5-fluoro-1H-indol-3-yl)furan-2-yl]-5-oxopentanoic acid

C17H14FNO4 — CID 175774677

IUPAC2-[4-(5-fluoro-1H-indol-3-yl)furan-2-yl]-5-oxopentanoic acid
SMILESO=CCCC(C(=O)O)c1cc(-c2c[nH]c3ccc(F)cc23)co1
InChIInChI=1S/C17H14FNO4/c18-11-3-4-15-13(7-11)14(8-19-15)10-6-16(23-9-10)12(17(21)22)2-1-5-20/h3-9,12,19H,1-2H2,(H,21,22)
InChIKeyFRSVSRWHDUYDSD-UHFFFAOYSA-N
MW315.30 g/mol
LogP3.71
Rot. Bonds6

About 2-[4-(5-fluoro-1H-indol-3-yl)furan-2-yl]-5-oxopentanoic acid

2-[4-(5-fluoro-1H-indol-3-yl)furan-2-yl]-5-oxopentanoic acid (PubChem CID 175774677) has the molecular formula C17H14FNO4 and a molecular weight of 315.30 g/mol. Its IUPAC name is 2-[4-(5-fluoro-1H-indol-3-yl)furan-2-yl]-5-oxopentanoic acid.

Molecular Properties

Compound Name2-[4-(5-fluoro-1H-indol-3-yl)furan-2-yl]-5-oxopentanoic acid
PubChem CID175774677
Molecular FormulaC17H14FNO4
Molecular Weight315.30 g/mol
Exact Mass315.09
IUPAC Name2-[4-(5-fluoro-1H-indol-3-yl)furan-2-yl]-5-oxopentanoic acid
SMILESO=CCCC(C(=O)O)c1cc(-c2c[nH]c3ccc(F)cc23)co1
InChIInChI=1S/C17H14FNO4/c18-11-3-4-15-13(7-11)14(8-19-15)10-6-16(23-9-10)12(17(21)22)2-1-5-20/h3-9,12,19H,1-2H2,(H,21,22)
InChIKeyFRSVSRWHDUYDSD-UHFFFAOYSA-N
XLogP3.71
TPSA83.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(7-fluoro-1H-indol-3-yl)furan-2-yl]-4-oxobutanoic acid
CID 175774729
2-(5-fluoro-1H-indol-3-yl)hexanoic acid
CID 67748915
3-(5-fluoro-1H-indol-3-yl)benzamide
CID 141029269
3-(5-fluoro-1H-indol-3-yl)-1H-pyrrole-2-carboxylic acid
CID 82385944
(2S)-2-amino-3-(5-fluoro-1H-indol-3-yl)propanoic acid;hydrate
CID 24721259
ethyl 4-amino-2-(5-fluoro-1H-indol-3-yl)butanoate
CID 57300309
3-(5-fluoro-1H-indol-3-yl)propanoic acid
CID 10899794
3-amino-3-(5-fluoro-1H-indol-3-yl)propanoic acid
CID 82617027
3-(5-chloro-1H-indol-3-yl)-5-fluoro-1H-indole
CID 171776038
5-fluoro-1H-indol-3-ol
CID 90083452
2-chloro-1-(5-fluoro-1H-indol-3-yl)ethanone
CID 931809
4-(5-fluoro-1H-indol-3-yl)-4-oxobut-2-enoic acid
CID 77054977

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-fluoro-1H-indol-3-yl)furan-2-yl]-5-oxopentanoic acid?
The IUPAC name of 2-[4-(5-fluoro-1H-indol-3-yl)furan-2-yl]-5-oxopentanoic acid (CID 175774677) is 2-[4-(5-fluoro-1H-indol-3-yl)furan-2-yl]-5-oxopentanoic acid.
What is the SMILES notation for 2-[4-(5-fluoro-1H-indol-3-yl)furan-2-yl]-5-oxopentanoic acid?
The canonical SMILES for 2-[4-(5-fluoro-1H-indol-3-yl)furan-2-yl]-5-oxopentanoic acid is O=CCCC(C(=O)O)c1cc(-c2c[nH]c3ccc(F)cc23)co1.
What is the InChIKey of 2-[4-(5-fluoro-1H-indol-3-yl)furan-2-yl]-5-oxopentanoic acid?
The InChIKey is FRSVSRWHDUYDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO4/c18-11-3-4-15-13(7-11)14(8-19-15)10-6-16(23-9-10)12(17(21)22)2-1-5-20/h3-9,12,19H,1-2H2,(H,21,22).
What are the key properties of 2-[4-(5-fluoro-1H-indol-3-yl)furan-2-yl]-5-oxopentanoic acid?
2-[4-(5-fluoro-1H-indol-3-yl)furan-2-yl]-5-oxopentanoic acid has a molecular weight of 315.30 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-fluoro-1H-indol-3-yl)furan-2-yl]-5-oxopentanoic acid is sourced from PubChem (CID 175774677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).