5-[(2,6-dioxopiperidin-1-yl)methyl]-2-fluorobenzonitrile

C13H11FN2O2 — CID 107881969

IUPAC5-[(2,6-dioxopiperidin-1-yl)methyl]-2-fluorobenzonitrile
SMILESN#Cc1cc(CN2C(=O)CCCC2=O)ccc1F
InChIInChI=1S/C13H11FN2O2/c14-11-5-4-9(6-10(11)7-15)8-16-12(17)2-1-3-13(16)18/h4-6H,1-3,8H2
InChIKeyOONGGLHPNDTTFU-UHFFFAOYSA-N
MW246.24 g/mol
LogP1.74
Rot. Bonds2

About 5-[(2,6-dioxopiperidin-1-yl)methyl]-2-fluorobenzonitrile

5-[(2,6-dioxopiperidin-1-yl)methyl]-2-fluorobenzonitrile (PubChem CID 107881969) has the molecular formula C13H11FN2O2 and a molecular weight of 246.24 g/mol. Its IUPAC name is 5-[(2,6-dioxopiperidin-1-yl)methyl]-2-fluorobenzonitrile.

Molecular Properties

Compound Name5-[(2,6-dioxopiperidin-1-yl)methyl]-2-fluorobenzonitrile
PubChem CID107881969
Molecular FormulaC13H11FN2O2
Molecular Weight246.24 g/mol
Exact Mass246.08
IUPAC Name5-[(2,6-dioxopiperidin-1-yl)methyl]-2-fluorobenzonitrile
SMILESN#Cc1cc(CN2C(=O)CCCC2=O)ccc1F
InChIInChI=1S/C13H11FN2O2/c14-11-5-4-9(6-10(11)7-15)8-16-12(17)2-1-3-13(16)18/h4-6H,1-3,8H2
InChIKeyOONGGLHPNDTTFU-UHFFFAOYSA-N
XLogP1.74
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[(2,4-dioxo-1,3-thiazinan-3-yl)methyl]-2-fluorobenzonitrile
CID 107882256
5-[(2,5-dioxoimidazolidin-1-yl)methyl]-2-fluorobenzonitrile
CID 107881941
2-fluoro-5-(2-oxopiperidin-1-yl)benzonitrile
CID 79686870
1-[(3-cyano-4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 114012420
methyl 4-[(2,6-dioxopiperidin-1-yl)methyl]-2-fluorobenzoate
CID 106698803
1-[(3-cyano-4-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile
CID 107887296
2-fluoro-5-[(3-methyl-2-oxoimidazol-1-yl)methyl]benzonitrile
CID 107882041
2-fluoro-5-(1,4-oxazepan-4-ylmethyl)benzonitrile
CID 103758445
2-fluoro-5-[(4-methyl-2,3-dioxopyrazin-1-yl)methyl]benzonitrile
CID 107881999
5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-fluorobenzonitrile
CID 103758407
1-[(3-cyano-4-fluorophenyl)methyl]piperidine-4-carbonitrile
CID 113256160
2-fluoro-5-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]benzonitrile
CID 103758832

Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-dioxopiperidin-1-yl)methyl]-2-fluorobenzonitrile?
The IUPAC name of 5-[(2,6-dioxopiperidin-1-yl)methyl]-2-fluorobenzonitrile (CID 107881969) is 5-[(2,6-dioxopiperidin-1-yl)methyl]-2-fluorobenzonitrile.
What is the SMILES notation for 5-[(2,6-dioxopiperidin-1-yl)methyl]-2-fluorobenzonitrile?
The canonical SMILES for 5-[(2,6-dioxopiperidin-1-yl)methyl]-2-fluorobenzonitrile is N#Cc1cc(CN2C(=O)CCCC2=O)ccc1F.
What is the InChIKey of 5-[(2,6-dioxopiperidin-1-yl)methyl]-2-fluorobenzonitrile?
The InChIKey is OONGGLHPNDTTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O2/c14-11-5-4-9(6-10(11)7-15)8-16-12(17)2-1-3-13(16)18/h4-6H,1-3,8H2.
What are the key properties of 5-[(2,6-dioxopiperidin-1-yl)methyl]-2-fluorobenzonitrile?
5-[(2,6-dioxopiperidin-1-yl)methyl]-2-fluorobenzonitrile has a molecular weight of 246.24 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-dioxopiperidin-1-yl)methyl]-2-fluorobenzonitrile is sourced from PubChem (CID 107881969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).