2-dodecyl-5-fluoroisoindole-1,3-dione

C20H28FNO2 — CID 3089285

IUPAC2-dodecyl-5-fluoroisoindole-1,3-dione
SMILESCCCCCCCCCCCCN1C(=O)c2ccc(F)cc2C1=O
InChIInChI=1S/C20H28FNO2/c1-2-3-4-5-6-7-8-9-10-11-14-22-19(23)17-13-12-16(21)15-18(17)20(22)24/h12-13,15H,2-11,14H2,1H3
InChIKeySJDWPLXBBMCCCE-UHFFFAOYSA-N
MW333.45 g/mol
LogP5.34
Rot. Bonds11

About 2-dodecyl-5-fluoroisoindole-1,3-dione

2-dodecyl-5-fluoroisoindole-1,3-dione (PubChem CID 3089285) has the molecular formula C20H28FNO2 and a molecular weight of 333.45 g/mol. Its IUPAC name is 2-dodecyl-5-fluoroisoindole-1,3-dione.

Molecular Properties

Compound Name2-dodecyl-5-fluoroisoindole-1,3-dione
PubChem CID3089285
Molecular FormulaC20H28FNO2
Molecular Weight333.45 g/mol
Exact Mass333.21
IUPAC Name2-dodecyl-5-fluoroisoindole-1,3-dione
SMILESCCCCCCCCCCCCN1C(=O)c2ccc(F)cc2C1=O
InChIInChI=1S/C20H28FNO2/c1-2-3-4-5-6-7-8-9-10-11-14-22-19(23)17-13-12-16(21)15-18(17)20(22)24/h12-13,15H,2-11,14H2,1H3
InChIKeySJDWPLXBBMCCCE-UHFFFAOYSA-N
XLogP5.34
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.45
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-dodecyl-5-fluoroisoindole-1,3-dione?
The IUPAC name of 2-dodecyl-5-fluoroisoindole-1,3-dione (CID 3089285) is 2-dodecyl-5-fluoroisoindole-1,3-dione.
What is the SMILES notation for 2-dodecyl-5-fluoroisoindole-1,3-dione?
The canonical SMILES for 2-dodecyl-5-fluoroisoindole-1,3-dione is CCCCCCCCCCCCN1C(=O)c2ccc(F)cc2C1=O.
What is the InChIKey of 2-dodecyl-5-fluoroisoindole-1,3-dione?
The InChIKey is SJDWPLXBBMCCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FNO2/c1-2-3-4-5-6-7-8-9-10-11-14-22-19(23)17-13-12-16(21)15-18(17)20(22)24/h12-13,15H,2-11,14H2,1H3.
What are the key properties of 2-dodecyl-5-fluoroisoindole-1,3-dione?
2-dodecyl-5-fluoroisoindole-1,3-dione has a molecular weight of 333.45 g/mol, XLogP of 5.34, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecyl-5-fluoroisoindole-1,3-dione is sourced from PubChem (CID 3089285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).