2-(2-chloroethyl)-5-fluoroisoindole-1,3-dione

C10H7ClFNO2 — CID 25417104

IUPAC2-(2-chloroethyl)-5-fluoroisoindole-1,3-dione
SMILESO=C1c2ccc(F)cc2C(=O)N1CCCl
InChIInChI=1S/C10H7ClFNO2/c11-3-4-13-9(14)7-2-1-6(12)5-8(7)10(13)15/h1-2,5H,3-4H2
InChIKeyKYATUXRRFOJLJB-UHFFFAOYSA-N
MW227.62 g/mol
LogP1.66
Rot. Bonds2

About 2-(2-chloroethyl)-5-fluoroisoindole-1,3-dione

2-(2-chloroethyl)-5-fluoroisoindole-1,3-dione (PubChem CID 25417104) has the molecular formula C10H7ClFNO2 and a molecular weight of 227.62 g/mol. Its IUPAC name is 2-(2-chloroethyl)-5-fluoroisoindole-1,3-dione.

Molecular Properties

Compound Name2-(2-chloroethyl)-5-fluoroisoindole-1,3-dione
PubChem CID25417104
Molecular FormulaC10H7ClFNO2
Molecular Weight227.62 g/mol
Exact Mass227.01
IUPAC Name2-(2-chloroethyl)-5-fluoroisoindole-1,3-dione
SMILESO=C1c2ccc(F)cc2C(=O)N1CCCl
InChIInChI=1S/C10H7ClFNO2/c11-3-4-13-9(14)7-2-1-6(12)5-8(7)10(13)15/h1-2,5H,3-4H2
InChIKeyKYATUXRRFOJLJB-UHFFFAOYSA-N
XLogP1.66
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.62
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromobutyl)-5-fluoroisoindole-1,3-dione
CID 146674070
2-but-3-enyl-5-fluoroisoindole-1,3-dione
CID 71862882
3-(5-fluoro-1,3-dioxoisoindol-2-yl)propanoate
CID 3305675
5-fluoro-2-nonylisoindole-1,3-dione
CID 3089281
2-dodecyl-5-fluoroisoindole-1,3-dione
CID 3089285
5-fluoro-2-[2-[(2R)-oxolan-2-yl]ethyl]isoindole-1,3-dione
CID 99827046
2-butyl-5-fluoroisoindole-1,3-dione;piperidine-2,6-dione
CID 167513160
2-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-fluoroisoindole-1,3-dione
CID 111751775
2-(2-chloroethyl)pyrrolo[3,4-c]pyridine-1,3-dione
CID 71670235
2-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-5-fluoroisoindole-1,3-dione
CID 111751776
5-amino-2-[(2-chloro-5-fluorophenyl)methyl]isoindole-1,3-dione
CID 102616030
2-[(2-chloro-5-fluorophenyl)methyl]-5-iodoisoindole-1,3-dione
CID 102621745

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-5-fluoroisoindole-1,3-dione?
The IUPAC name of 2-(2-chloroethyl)-5-fluoroisoindole-1,3-dione (CID 25417104) is 2-(2-chloroethyl)-5-fluoroisoindole-1,3-dione.
What is the SMILES notation for 2-(2-chloroethyl)-5-fluoroisoindole-1,3-dione?
The canonical SMILES for 2-(2-chloroethyl)-5-fluoroisoindole-1,3-dione is O=C1c2ccc(F)cc2C(=O)N1CCCl.
What is the InChIKey of 2-(2-chloroethyl)-5-fluoroisoindole-1,3-dione?
The InChIKey is KYATUXRRFOJLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFNO2/c11-3-4-13-9(14)7-2-1-6(12)5-8(7)10(13)15/h1-2,5H,3-4H2.
What are the key properties of 2-(2-chloroethyl)-5-fluoroisoindole-1,3-dione?
2-(2-chloroethyl)-5-fluoroisoindole-1,3-dione has a molecular weight of 227.62 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-5-fluoroisoindole-1,3-dione is sourced from PubChem (CID 25417104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).