benzene;5-fluoroisoindole-1,3-dione

C14H10FNO2 — CID 174849792

IUPACbenzene;5-fluoroisoindole-1,3-dione
SMILESO=C1NC(=O)c2cc(F)ccc21.c1ccccc1
InChIInChI=1S/C8H4FNO2.C6H6/c9-4-1-2-5-6(3-4)8(12)10-7(5)11;1-2-4-6-5-3-1/h1-3H,(H,10,11,12);1-6H
InChIKeyJKBSXRLOAMAVFX-UHFFFAOYSA-N
MW243.24 g/mol
LogP2.40
Rot. Bonds

About benzene;5-fluoroisoindole-1,3-dione

benzene;5-fluoroisoindole-1,3-dione (PubChem CID 174849792) has the molecular formula C14H10FNO2 and a molecular weight of 243.24 g/mol. Its IUPAC name is benzene;5-fluoroisoindole-1,3-dione.

Molecular Properties

Compound Namebenzene;5-fluoroisoindole-1,3-dione
PubChem CID174849792
Molecular FormulaC14H10FNO2
Molecular Weight243.24 g/mol
Exact Mass243.07
IUPAC Namebenzene;5-fluoroisoindole-1,3-dione
SMILESO=C1NC(=O)c2cc(F)ccc21.c1ccccc1
InChIInChI=1S/C8H4FNO2.C6H6/c9-4-1-2-5-6(3-4)8(12)10-7(5)11;1-2-4-6-5-3-1/h1-3H,(H,10,11,12);1-6H
InChIKeyJKBSXRLOAMAVFX-UHFFFAOYSA-N
XLogP2.40
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(4-fluorophenyl)ethynyl]isoindole-1,3-dione
CID 53325301
5-fluoro-2-benzofuran-1,3-dione
CID 159746884
5-[4-[4-[4-[4-(1,3-dioxoisoindol-5-yl)phenyl]phenyl]phenyl]phenyl]isoindole-1,3-dione
CID 102137846
CID 158403573
CID 158403573
lithium isoindole-1,3-dione
CID 18764300
hydron;isoindole-1,3-dione
CID 174301362
isoindole-1,3-dione;phosphane
CID 89428738
6-fluoro-2-phenyl-2,3-dihydro-1H-quinazolin-4-one
CID 18403958
ethane;5-methylsulfanylisoindole-1,3-dione
CID 142452708
5-[(1,3-dioxoisoindol-5-yl)methyl]isoindole-1,3-dione
CID 834245
5-aminoisoindole-1,3-dione;hydrochloride
CID 44723776
9-fluoro-5H-benzo[b][1,4]benzothiazepin-6-one
CID 150355341

Frequently Asked Questions

What is the IUPAC name of benzene;5-fluoroisoindole-1,3-dione?
The IUPAC name of benzene;5-fluoroisoindole-1,3-dione (CID 174849792) is benzene;5-fluoroisoindole-1,3-dione.
What is the SMILES notation for benzene;5-fluoroisoindole-1,3-dione?
The canonical SMILES for benzene;5-fluoroisoindole-1,3-dione is O=C1NC(=O)c2cc(F)ccc21.c1ccccc1.
What is the InChIKey of benzene;5-fluoroisoindole-1,3-dione?
The InChIKey is JKBSXRLOAMAVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4FNO2.C6H6/c9-4-1-2-5-6(3-4)8(12)10-7(5)11;1-2-4-6-5-3-1/h1-3H,(H,10,11,12);1-6H.
What are the key properties of benzene;5-fluoroisoindole-1,3-dione?
benzene;5-fluoroisoindole-1,3-dione has a molecular weight of 243.24 g/mol, XLogP of 2.40, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;5-fluoroisoindole-1,3-dione is sourced from PubChem (CID 174849792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).