5-fluoro-2-[2-[(2R)-oxolan-2-yl]ethyl]isoindole-1,3-dione

C14H14FNO3 — CID 99827046

IUPAC5-fluoro-2-[2-[(2R)-oxolan-2-yl]ethyl]isoindole-1,3-dione
SMILESO=C1c2ccc(F)cc2C(=O)N1CC[C@H]1CCCO1
InChIInChI=1S/C14H14FNO3/c15-9-3-4-11-12(8-9)14(18)16(13(11)17)6-5-10-2-1-7-19-10/h3-4,8,10H,1-2,5-7H2/t10-/m1/s1
InChIKeyYVASTAYJVHGXEE-SNVBAGLBSA-N
MW263.27 g/mol
LogP1.99
Rot. Bonds3

About 5-fluoro-2-[2-[(2R)-oxolan-2-yl]ethyl]isoindole-1,3-dione

5-fluoro-2-[2-[(2R)-oxolan-2-yl]ethyl]isoindole-1,3-dione (PubChem CID 99827046) has the molecular formula C14H14FNO3 and a molecular weight of 263.27 g/mol. Its IUPAC name is 5-fluoro-2-[2-[(2R)-oxolan-2-yl]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name5-fluoro-2-[2-[(2R)-oxolan-2-yl]ethyl]isoindole-1,3-dione
PubChem CID99827046
Molecular FormulaC14H14FNO3
Molecular Weight263.27 g/mol
Exact Mass263.10
IUPAC Name5-fluoro-2-[2-[(2R)-oxolan-2-yl]ethyl]isoindole-1,3-dione
SMILESO=C1c2ccc(F)cc2C(=O)N1CC[C@H]1CCCO1
InChIInChI=1S/C14H14FNO3/c15-9-3-4-11-12(8-9)14(18)16(13(11)17)6-5-10-2-1-7-19-10/h3-4,8,10H,1-2,5-7H2/t10-/m1/s1
InChIKeyYVASTAYJVHGXEE-SNVBAGLBSA-N
XLogP1.99
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-[[(2S)-oxolan-2-yl]methyl]isoindole-1,3-dione
CID 804347
5-[1,3-dioxo-2-[[(2R)-oxolan-2-yl]methyl]isoindol-5-yl]oxy-2-[[(2S)-oxolan-2-yl]methyl]isoindole-1,3-dione
CID 1231025
1,3-dioxo-2-[[(2S)-oxolan-2-yl]methyl]isoindole-5-carboxylic acid
CID 789609
1-[2-(oxolan-2-yl)ethyl]benzo[cd]indol-2-one
CID 116619003
5-chloro-6-fluoro-1-[2-(oxolan-2-yl)ethyl]indole-2,3-dione
CID 79336364
2-(2-chloroethyl)-5-fluoroisoindole-1,3-dione
CID 25417104
N-ethyl-N-(4-fluorophenyl)-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide
CID 51198650
N-[2-(4-fluorophenoxy)ethyl]-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide
CID 46599885
5-(4-aminophenoxy)-2-(oxolan-2-ylmethyl)isoindole-1,3-dione
CID 2924807
2-(3-methylbutyl)-1,3-dioxo-N-[[(2S)-oxolan-2-yl]methyl]isoindole-5-carboxamide
CID 1262348
N-[(3-bromo-5-fluorophenyl)methyl]-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide
CID 55907000
N-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide
CID 17362324

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[2-[(2R)-oxolan-2-yl]ethyl]isoindole-1,3-dione?
The IUPAC name of 5-fluoro-2-[2-[(2R)-oxolan-2-yl]ethyl]isoindole-1,3-dione (CID 99827046) is 5-fluoro-2-[2-[(2R)-oxolan-2-yl]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 5-fluoro-2-[2-[(2R)-oxolan-2-yl]ethyl]isoindole-1,3-dione?
The canonical SMILES for 5-fluoro-2-[2-[(2R)-oxolan-2-yl]ethyl]isoindole-1,3-dione is O=C1c2ccc(F)cc2C(=O)N1CC[C@H]1CCCO1.
What is the InChIKey of 5-fluoro-2-[2-[(2R)-oxolan-2-yl]ethyl]isoindole-1,3-dione?
The InChIKey is YVASTAYJVHGXEE-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H14FNO3/c15-9-3-4-11-12(8-9)14(18)16(13(11)17)6-5-10-2-1-7-19-10/h3-4,8,10H,1-2,5-7H2/t10-/m1/s1.
What are the key properties of 5-fluoro-2-[2-[(2R)-oxolan-2-yl]ethyl]isoindole-1,3-dione?
5-fluoro-2-[2-[(2R)-oxolan-2-yl]ethyl]isoindole-1,3-dione has a molecular weight of 263.27 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[2-[(2R)-oxolan-2-yl]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 99827046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).