5-fluoro-2-methylbenzene-6-ide-1-carbonitrile;rhenium

C8H5FNRe- — CID 164593271

IUPAC5-fluoro-2-methylbenzene-6-ide-1-carbonitrile;rhenium
SMILESCc1ccc(F)[c-]c1C#N.[Re]
InChIInChI=1S/C8H5FN.Re/c1-6-2-3-8(9)4-7(6)5-10;/h2-3H,1H3;/q-1;
InChIKeyGJMIKGVRWAWACP-UHFFFAOYSA-N
MW320.34 g/mol
LogP1.80
Rot. Bonds

About 5-fluoro-2-methylbenzene-6-ide-1-carbonitrile;rhenium

5-fluoro-2-methylbenzene-6-ide-1-carbonitrile;rhenium (PubChem CID 164593271) has the molecular formula C8H5FNRe- and a molecular weight of 320.34 g/mol. Its IUPAC name is 5-fluoro-2-methylbenzene-6-ide-1-carbonitrile;rhenium.

Molecular Properties

Compound Name5-fluoro-2-methylbenzene-6-ide-1-carbonitrile;rhenium
PubChem CID164593271
Molecular FormulaC8H5FNRe-
Molecular Weight320.34 g/mol
Exact Mass321.00
IUPAC Name5-fluoro-2-methylbenzene-6-ide-1-carbonitrile;rhenium
SMILESCc1ccc(F)[c-]c1C#N.[Re]
InChIInChI=1S/C8H5FN.Re/c1-6-2-3-8(9)4-7(6)5-10;/h2-3H,1H3;/q-1;
InChIKeyGJMIKGVRWAWACP-UHFFFAOYSA-N
XLogP1.80
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methylbenzene-6-ide-1-carbonitrile;yttrium(3+)
CID 20739775
3-amino-2-fluoro-6-methylbenzonitrile
CID 83410294
1,6,7,10-tetramethylfluoranthene-8,9-dicarbonitrile
CID 139203251
3-fluoro-2-hydroxy-4-methylbenzonitrile
CID 117275995
6-fluoro-3-methylpyridine-2-carbonitrile
CID 104546694
(2R)-2-amino-2-(6-chloro-2-fluoro-3-methylphenyl)acetonitrile
CID 130695932
2-amino-4-fluoro-7-methyl-1-benzofuran-3-carbonitrile
CID 170571792
3-fluoro-6-methyl-2-sulfanylbenzonitrile
CID 148733726
2-fluoro-6-methyl-3-sulfanylbenzonitrile
CID 171010516
ethane;3-fluoro-4-methylpyridine-2-carbonitrile
CID 156725109
6-fluoro-2-hydroxy-3-methylbenzonitrile
CID 88974968
5-(2,6-dimethylphenyl)-2-fluorobenzene-1,3-dicarbonitrile;ethane
CID 144713865

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methylbenzene-6-ide-1-carbonitrile;rhenium?
The IUPAC name of 5-fluoro-2-methylbenzene-6-ide-1-carbonitrile;rhenium (CID 164593271) is 5-fluoro-2-methylbenzene-6-ide-1-carbonitrile;rhenium.
What is the SMILES notation for 5-fluoro-2-methylbenzene-6-ide-1-carbonitrile;rhenium?
The canonical SMILES for 5-fluoro-2-methylbenzene-6-ide-1-carbonitrile;rhenium is Cc1ccc(F)[c-]c1C#N.[Re].
What is the InChIKey of 5-fluoro-2-methylbenzene-6-ide-1-carbonitrile;rhenium?
The InChIKey is GJMIKGVRWAWACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FN.Re/c1-6-2-3-8(9)4-7(6)5-10;/h2-3H,1H3;/q-1;.
What are the key properties of 5-fluoro-2-methylbenzene-6-ide-1-carbonitrile;rhenium?
5-fluoro-2-methylbenzene-6-ide-1-carbonitrile;rhenium has a molecular weight of 320.34 g/mol, XLogP of 1.80, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methylbenzene-6-ide-1-carbonitrile;rhenium is sourced from PubChem (CID 164593271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).