2-[2-(2-fluorophenyl)-2-hydroxyethyl]isoindole-1,3-dione

C16H12FNO3 — CID 42946404

IUPAC2-[2-(2-fluorophenyl)-2-hydroxyethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CC(O)c1ccccc1F
InChIInChI=1S/C16H12FNO3/c17-13-8-4-3-7-12(13)14(19)9-18-15(20)10-5-1-2-6-11(10)16(18)21/h1-8,14,19H,9H2
InChIKeyMSBCKXYPBSXWBG-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.16
Rot. Bonds3

About 2-[2-(2-fluorophenyl)-2-hydroxyethyl]isoindole-1,3-dione

2-[2-(2-fluorophenyl)-2-hydroxyethyl]isoindole-1,3-dione (PubChem CID 42946404) has the molecular formula C16H12FNO3 and a molecular weight of 285.27 g/mol. Its IUPAC name is 2-[2-(2-fluorophenyl)-2-hydroxyethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(2-fluorophenyl)-2-hydroxyethyl]isoindole-1,3-dione
PubChem CID42946404
Molecular FormulaC16H12FNO3
Molecular Weight285.27 g/mol
Exact Mass285.08
IUPAC Name2-[2-(2-fluorophenyl)-2-hydroxyethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CC(O)c1ccccc1F
InChIInChI=1S/C16H12FNO3/c17-13-8-4-3-7-12(13)14(19)9-18-15(20)10-5-1-2-6-11(10)16(18)21/h1-8,14,19H,9H2
InChIKeyMSBCKXYPBSXWBG-UHFFFAOYSA-N
XLogP2.16
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2,4-difluorophenyl)-2-hydroxyethyl]isoindole-1,3-dione
CID 110885169
1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidine-2,6-dione
CID 113463158
2-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-fluoroisoindole-1,3-dione
CID 111751775
2-[2-(2,5-dichlorophenyl)-2-hydroxyethyl]isoindole-1,3-dione
CID 91136158
3-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-methylimidazolidine-2,4-dione
CID 42955349
2-[2-(2,5-dimethylphenyl)-2-hydroxyethyl]isoindole-1,3-dione
CID 71494022
2-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-5-fluoroisoindole-1,3-dione
CID 111751776
7-[2-(2-fluorophenyl)-2-hydroxyethyl]-5,7-diazaspiro[3.4]octane-6,8-dione
CID 110921257
2-(aziridin-1-yl)-1-(2-fluorophenyl)ethanol
CID 82125307
2-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]isoindole-1,3-dione
CID 14536961
2-[6-(1,3-dioxoisoindol-2-yl)-2,5-dihydroxyhexyl]isoindole-1,3-dione
CID 5232489
2-[2-(4-aminophenyl)-2-hydroxyethyl]isoindole-1,3-dione
CID 43461566

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluorophenyl)-2-hydroxyethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(2-fluorophenyl)-2-hydroxyethyl]isoindole-1,3-dione (CID 42946404) is 2-[2-(2-fluorophenyl)-2-hydroxyethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(2-fluorophenyl)-2-hydroxyethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(2-fluorophenyl)-2-hydroxyethyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CC(O)c1ccccc1F.
What is the InChIKey of 2-[2-(2-fluorophenyl)-2-hydroxyethyl]isoindole-1,3-dione?
The InChIKey is MSBCKXYPBSXWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO3/c17-13-8-4-3-7-12(13)14(19)9-18-15(20)10-5-1-2-6-11(10)16(18)21/h1-8,14,19H,9H2.
What are the key properties of 2-[2-(2-fluorophenyl)-2-hydroxyethyl]isoindole-1,3-dione?
2-[2-(2-fluorophenyl)-2-hydroxyethyl]isoindole-1,3-dione has a molecular weight of 285.27 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluorophenyl)-2-hydroxyethyl]isoindole-1,3-dione is sourced from PubChem (CID 42946404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).