[7-(2,6-dioxopiperidin-3-yl)naphthalen-2-yl]oxy thiohypofluorite

C15H12FNO3S — CID 177011058

IUPAC[7-(2,6-dioxopiperidin-3-yl)naphthalen-2-yl]oxy thiohypofluorite
SMILESO=C1CCC(c2ccc3ccc(OSF)cc3c2)C(=O)N1
InChIInChI=1S/C15H12FNO3S/c16-21-20-12-4-3-9-1-2-10(7-11(9)8-12)13-5-6-14(18)17-15(13)19/h1-4,7-8,13H,5-6H2,(H,17,18,19)
InChIKeyYGOFOCCQICEUDC-UHFFFAOYSA-N
MW305.33 g/mol
LogP3.27
Rot. Bonds3

About [7-(2,6-dioxopiperidin-3-yl)naphthalen-2-yl]oxy thiohypofluorite

[7-(2,6-dioxopiperidin-3-yl)naphthalen-2-yl]oxy thiohypofluorite (PubChem CID 177011058) has the molecular formula C15H12FNO3S and a molecular weight of 305.33 g/mol. Its IUPAC name is [7-(2,6-dioxopiperidin-3-yl)naphthalen-2-yl]oxy thiohypofluorite.

Molecular Properties

Compound Name[7-(2,6-dioxopiperidin-3-yl)naphthalen-2-yl]oxy thiohypofluorite
PubChem CID177011058
Molecular FormulaC15H12FNO3S
Molecular Weight305.33 g/mol
Exact Mass305.05
IUPAC Name[7-(2,6-dioxopiperidin-3-yl)naphthalen-2-yl]oxy thiohypofluorite
SMILESO=C1CCC(c2ccc3ccc(OSF)cc3c2)C(=O)N1
InChIInChI=1S/C15H12FNO3S/c16-21-20-12-4-3-9-1-2-10(7-11(9)8-12)13-5-6-14(18)17-15(13)19/h1-4,7-8,13H,5-6H2,(H,17,18,19)
InChIKeyYGOFOCCQICEUDC-UHFFFAOYSA-N
XLogP3.27
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [7-(2,6-dioxopiperidin-3-yl)naphthalen-2-yl]oxy thiohypofluorite?
The IUPAC name of [7-(2,6-dioxopiperidin-3-yl)naphthalen-2-yl]oxy thiohypofluorite (CID 177011058) is [7-(2,6-dioxopiperidin-3-yl)naphthalen-2-yl]oxy thiohypofluorite.
What is the SMILES notation for [7-(2,6-dioxopiperidin-3-yl)naphthalen-2-yl]oxy thiohypofluorite?
The canonical SMILES for [7-(2,6-dioxopiperidin-3-yl)naphthalen-2-yl]oxy thiohypofluorite is O=C1CCC(c2ccc3ccc(OSF)cc3c2)C(=O)N1.
What is the InChIKey of [7-(2,6-dioxopiperidin-3-yl)naphthalen-2-yl]oxy thiohypofluorite?
The InChIKey is YGOFOCCQICEUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO3S/c16-21-20-12-4-3-9-1-2-10(7-11(9)8-12)13-5-6-14(18)17-15(13)19/h1-4,7-8,13H,5-6H2,(H,17,18,19).
What are the key properties of [7-(2,6-dioxopiperidin-3-yl)naphthalen-2-yl]oxy thiohypofluorite?
[7-(2,6-dioxopiperidin-3-yl)naphthalen-2-yl]oxy thiohypofluorite has a molecular weight of 305.33 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(2,6-dioxopiperidin-3-yl)naphthalen-2-yl]oxy thiohypofluorite is sourced from PubChem (CID 177011058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).