benzonitrile;hydron;fluoride

C7H6FN — CID 22022751

IUPACbenzonitrile;hydron;fluoride
SMILESN#Cc1ccccc1.[F-].[H+]
InChIInChI=1S/C7H5N.FH/c8-6-7-4-2-1-3-5-7;/h1-5H;1H
InChIKeyHAVUZBHAXICAID-UHFFFAOYSA-N
MW123.13 g/mol
LogP-1.33
Rot. Bonds

About benzonitrile;hydron;fluoride

benzonitrile;hydron;fluoride (PubChem CID 22022751) has the molecular formula C7H6FN and a molecular weight of 123.13 g/mol. Its IUPAC name is benzonitrile;hydron;fluoride.

Molecular Properties

Compound Namebenzonitrile;hydron;fluoride
PubChem CID22022751
Molecular FormulaC7H6FN
Molecular Weight123.13 g/mol
Exact Mass123.05
IUPAC Namebenzonitrile;hydron;fluoride
SMILESN#Cc1ccccc1.[F-].[H+]
InChIInChI=1S/C7H5N.FH/c8-6-7-4-2-1-3-5-7;/h1-5H;1H
InChIKeyHAVUZBHAXICAID-UHFFFAOYSA-N
XLogP-1.33
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.13
LogP ≤ 5-1.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of benzonitrile;hydron;fluoride?
The IUPAC name of benzonitrile;hydron;fluoride (CID 22022751) is benzonitrile;hydron;fluoride.
What is the SMILES notation for benzonitrile;hydron;fluoride?
The canonical SMILES for benzonitrile;hydron;fluoride is N#Cc1ccccc1.[F-].[H+].
What is the InChIKey of benzonitrile;hydron;fluoride?
The InChIKey is HAVUZBHAXICAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N.FH/c8-6-7-4-2-1-3-5-7;/h1-5H;1H.
What are the key properties of benzonitrile;hydron;fluoride?
benzonitrile;hydron;fluoride has a molecular weight of 123.13 g/mol, XLogP of -1.33, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzonitrile;hydron;fluoride is sourced from PubChem (CID 22022751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).