2-[(2S,3R)-3-fluoro-2-hydroxy-3-phenylpropyl]isoindole-1,3-dione

C17H14FNO3 — CID 134850329

IUPAC2-[(2S,3R)-3-fluoro-2-hydroxy-3-phenylpropyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1C[C@H](O)[C@H](F)c1ccccc1
InChIInChI=1S/C17H14FNO3/c18-15(11-6-2-1-3-7-11)14(20)10-19-16(21)12-8-4-5-9-13(12)17(19)22/h1-9,14-15,20H,10H2/t14-,15+/m0/s1
InChIKeyFBOKRTJLFNHOCV-LSDHHAIUSA-N
MW299.30 g/mol
LogP2.35
Rot. Bonds4

About 2-[(2S,3R)-3-fluoro-2-hydroxy-3-phenylpropyl]isoindole-1,3-dione

2-[(2S,3R)-3-fluoro-2-hydroxy-3-phenylpropyl]isoindole-1,3-dione (PubChem CID 134850329) has the molecular formula C17H14FNO3 and a molecular weight of 299.30 g/mol. Its IUPAC name is 2-[(2S,3R)-3-fluoro-2-hydroxy-3-phenylpropyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(2S,3R)-3-fluoro-2-hydroxy-3-phenylpropyl]isoindole-1,3-dione
PubChem CID134850329
Molecular FormulaC17H14FNO3
Molecular Weight299.30 g/mol
Exact Mass299.10
IUPAC Name2-[(2S,3R)-3-fluoro-2-hydroxy-3-phenylpropyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1C[C@H](O)[C@H](F)c1ccccc1
InChIInChI=1S/C17H14FNO3/c18-15(11-6-2-1-3-7-11)14(20)10-19-16(21)12-8-4-5-9-13(12)17(19)22/h1-9,14-15,20H,10H2/t14-,15+/m0/s1
InChIKeyFBOKRTJLFNHOCV-LSDHHAIUSA-N
XLogP2.35
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(2S,3R)-3-fluoro-2-hydroxy-3-phenylpropyl]isoindole-1,3-dione with MolForge

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Related Compounds

N-Phthaloyl-DL-phenylalanine
CID 227754
(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)(phenyl)acetic acid
CID 272803
2-[2-(4-fluorophenyl)-2-oxoethyl]-1H-isoindole-1,3(2H)-dione
CID 2815202
N-(3-Phenylallyl)phthalimide
CID 5389074
(2S)-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylpropanoic acid
CID 334207
(2S)-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylpropanoic acid
CID 5309580
N-(2-Hydroxyethyl)phthalimide
CID 77499
(2R)-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)(phenyl)ethanoic acid
CID 5308032
N-phenethyl phthalimide
CID 348641
2-[(2-Fluorophenyl)methyl]isoindole-1,3-dione
CID 7688293
1,3-Diphthalimido-2-propanol
CID 97130
2-(3-Hydroxypropyl)isoindoline-1,3-dione
CID 70160

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3R)-3-fluoro-2-hydroxy-3-phenylpropyl]isoindole-1,3-dione?
The IUPAC name of 2-[(2S,3R)-3-fluoro-2-hydroxy-3-phenylpropyl]isoindole-1,3-dione (CID 134850329) is 2-[(2S,3R)-3-fluoro-2-hydroxy-3-phenylpropyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(2S,3R)-3-fluoro-2-hydroxy-3-phenylpropyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(2S,3R)-3-fluoro-2-hydroxy-3-phenylpropyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1C[C@H](O)[C@H](F)c1ccccc1.
What is the InChIKey of 2-[(2S,3R)-3-fluoro-2-hydroxy-3-phenylpropyl]isoindole-1,3-dione?
The InChIKey is FBOKRTJLFNHOCV-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H14FNO3/c18-15(11-6-2-1-3-7-11)14(20)10-19-16(21)12-8-4-5-9-13(12)17(19)22/h1-9,14-15,20H,10H2/t14-,15+/m0/s1.
What are the key properties of 2-[(2S,3R)-3-fluoro-2-hydroxy-3-phenylpropyl]isoindole-1,3-dione?
2-[(2S,3R)-3-fluoro-2-hydroxy-3-phenylpropyl]isoindole-1,3-dione has a molecular weight of 299.30 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3R)-3-fluoro-2-hydroxy-3-phenylpropyl]isoindole-1,3-dione is sourced from PubChem (CID 134850329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).