3-(7-fluoronaphthalen-1-yl)pyrrolidine-2,5-dione

C14H10FNO2 — CID 118512063

IUPAC3-(7-fluoronaphthalen-1-yl)pyrrolidine-2,5-dione
SMILESO=C1CC(c2cccc3ccc(F)cc23)C(=O)N1
InChIInChI=1S/C14H10FNO2/c15-9-5-4-8-2-1-3-10(11(8)6-9)12-7-13(17)16-14(12)18/h1-6,12H,7H2,(H,16,17,18)
InChIKeyVRIMRXAAUXFFOF-UHFFFAOYSA-N
MW243.24 g/mol
LogP2.11
Rot. Bonds1

About 3-(7-fluoronaphthalen-1-yl)pyrrolidine-2,5-dione

3-(7-fluoronaphthalen-1-yl)pyrrolidine-2,5-dione (PubChem CID 118512063) has the molecular formula C14H10FNO2 and a molecular weight of 243.24 g/mol. Its IUPAC name is 3-(7-fluoronaphthalen-1-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(7-fluoronaphthalen-1-yl)pyrrolidine-2,5-dione
PubChem CID118512063
Molecular FormulaC14H10FNO2
Molecular Weight243.24 g/mol
Exact Mass243.07
IUPAC Name3-(7-fluoronaphthalen-1-yl)pyrrolidine-2,5-dione
SMILESO=C1CC(c2cccc3ccc(F)cc23)C(=O)N1
InChIInChI=1S/C14H10FNO2/c15-9-5-4-8-2-1-3-10(11(8)6-9)12-7-13(17)16-14(12)18/h1-6,12H,7H2,(H,16,17,18)
InChIKeyVRIMRXAAUXFFOF-UHFFFAOYSA-N
XLogP2.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 52.11
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

3-Phenylpyrrolidine-2,5-dione
CID 568890
alpha,alpha-Diphenylsuccinimide
CID 160692
2,7-difluorospiro[9H-fluorene-9,3''-(tetrahydro-1''H-pyrrole)]-2'',5''-dione
CID 10356568
3-(2-Fluorophenyl)pyrrolidine-2,5-dione
CID 50989418
3-Methyl-4-phenylpyrrolidine-2,5-dione
CID 3728438
3-(6-Fluoronaphthalen-1-yl)pyrrolidine-2,5-dione
CID 118512030
Urea, (1-naphthylacetyl)-
CID 225252
Spiro(5H-dibenzo(a,d)cycloheptene-5,3'-pyrrolidine)-2',5'-dione, 10,11-dihydro-
CID 70580
2,5-Pyrrolidinedione, 3-(3-fluorophenyl)-
CID 3042604
Spiro(naphthalene-2(1H),3'-pyrrolidine)-2',5'-dione, 3,4-dihydro-
CID 3062432
3-(4-Fluorophenyl)-3-methyl-2,5-pyrrolidinedione
CID 20278194
1',2',3',4'-Tetrahydrospiro[pyrrolidine-3,1'-naphthalene]-2,5-dione
CID 4230334

Frequently Asked Questions

What is the IUPAC name of 3-(7-fluoronaphthalen-1-yl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(7-fluoronaphthalen-1-yl)pyrrolidine-2,5-dione (CID 118512063) is 3-(7-fluoronaphthalen-1-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(7-fluoronaphthalen-1-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(7-fluoronaphthalen-1-yl)pyrrolidine-2,5-dione is O=C1CC(c2cccc3ccc(F)cc23)C(=O)N1.
What is the InChIKey of 3-(7-fluoronaphthalen-1-yl)pyrrolidine-2,5-dione?
The InChIKey is VRIMRXAAUXFFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO2/c15-9-5-4-8-2-1-3-10(11(8)6-9)12-7-13(17)16-14(12)18/h1-6,12H,7H2,(H,16,17,18).
What are the key properties of 3-(7-fluoronaphthalen-1-yl)pyrrolidine-2,5-dione?
3-(7-fluoronaphthalen-1-yl)pyrrolidine-2,5-dione has a molecular weight of 243.24 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-fluoronaphthalen-1-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 118512063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).