2-[2-(2-fluoro-4,5-dihydroxyphenyl)-2-oxoethyl]isoindole-1,3-dione

C16H10FNO5 — CID 10403400

IUPAC2-[2-(2-fluoro-4,5-dihydroxyphenyl)-2-oxoethyl]isoindole-1,3-dione
SMILESO=C(CN1C(=O)c2ccccc2C1=O)c1cc(O)c(O)cc1F
InChIInChI=1S/C16H10FNO5/c17-11-6-13(20)12(19)5-10(11)14(21)7-18-15(22)8-3-1-2-4-9(8)16(18)23/h1-6,19-20H,7H2
InChIKeyIPHMODBWOSSMCE-UHFFFAOYSA-N
MW315.26 g/mol
LogP1.72
Rot. Bonds3

About 2-[2-(2-fluoro-4,5-dihydroxyphenyl)-2-oxoethyl]isoindole-1,3-dione

2-[2-(2-fluoro-4,5-dihydroxyphenyl)-2-oxoethyl]isoindole-1,3-dione (PubChem CID 10403400) has the molecular formula C16H10FNO5 and a molecular weight of 315.26 g/mol. Its IUPAC name is 2-[2-(2-fluoro-4,5-dihydroxyphenyl)-2-oxoethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(2-fluoro-4,5-dihydroxyphenyl)-2-oxoethyl]isoindole-1,3-dione
PubChem CID10403400
Molecular FormulaC16H10FNO5
Molecular Weight315.26 g/mol
Exact Mass315.05
IUPAC Name2-[2-(2-fluoro-4,5-dihydroxyphenyl)-2-oxoethyl]isoindole-1,3-dione
SMILESO=C(CN1C(=O)c2ccccc2C1=O)c1cc(O)c(O)cc1F
InChIInChI=1S/C16H10FNO5/c17-11-6-13(20)12(19)5-10(11)14(21)7-18-15(22)8-3-1-2-4-9(8)16(18)23/h1-6,19-20H,7H2
InChIKeyIPHMODBWOSSMCE-UHFFFAOYSA-N
XLogP1.72
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.26
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-fluoro-3-pyridinyl)-2-oxoethyl]isoindole-1,3-dione
CID 53403480
2-(2-oxo-2-thiophen-2-ylethyl)isoindole-1,3-dione
CID 7960051
2-[2-(4-methylphenyl)-2-oxoethyl]isoindole-1,3-dione
CID 11987559
2-(1,3-dioxoisoindol-2-yl)acetyl chloride
CID 11031536
2-[(E)-2-(3,4-dihydroxyphenyl)-3-fluoroprop-2-enyl]isoindole-1,3-dione
CID 70428800
4-[(1,3-dioxoisoindol-2-yl)methyl]-2-fluorobenzamide
CID 22481659
(2-fluorophenyl) 2-(1,3-dioxoisoindol-2-yl)acetate
CID 8764408
2-[2-oxo-2-(2-phenylmethoxyphenyl)ethyl]isoindole-1,3-dione
CID 129076171
2-[(3,4,5-trihydroxyphenyl)methyl]isoindole-1,3-dione
CID 91971420
N-(3,5-difluorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 2989674
N-(4-chloro-2-fluorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 2711737
carbanide;2-(2-oxopropyl)isoindole-1,3-dione;tungsten
CID 158979735

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluoro-4,5-dihydroxyphenyl)-2-oxoethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(2-fluoro-4,5-dihydroxyphenyl)-2-oxoethyl]isoindole-1,3-dione (CID 10403400) is 2-[2-(2-fluoro-4,5-dihydroxyphenyl)-2-oxoethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(2-fluoro-4,5-dihydroxyphenyl)-2-oxoethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(2-fluoro-4,5-dihydroxyphenyl)-2-oxoethyl]isoindole-1,3-dione is O=C(CN1C(=O)c2ccccc2C1=O)c1cc(O)c(O)cc1F.
What is the InChIKey of 2-[2-(2-fluoro-4,5-dihydroxyphenyl)-2-oxoethyl]isoindole-1,3-dione?
The InChIKey is IPHMODBWOSSMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FNO5/c17-11-6-13(20)12(19)5-10(11)14(21)7-18-15(22)8-3-1-2-4-9(8)16(18)23/h1-6,19-20H,7H2.
What are the key properties of 2-[2-(2-fluoro-4,5-dihydroxyphenyl)-2-oxoethyl]isoindole-1,3-dione?
2-[2-(2-fluoro-4,5-dihydroxyphenyl)-2-oxoethyl]isoindole-1,3-dione has a molecular weight of 315.26 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluoro-4,5-dihydroxyphenyl)-2-oxoethyl]isoindole-1,3-dione is sourced from PubChem (CID 10403400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).