4-fluorobenzonitrile

C7H4FN — CID 14517

IUPAC4-fluorobenzonitrile
SMILESN#Cc1ccc(F)cc1
InChIInChI=1S/C7H4FN/c8-7-3-1-6(5-9)2-4-7/h1-4H
InChIKeyAEKVBBNGWBBYLL-UHFFFAOYSA-N
MW121.11 g/mol
LogP1.70
Rot. Bonds

About 4-fluorobenzonitrile

4-fluorobenzonitrile (PubChem CID 14517) has the molecular formula C7H4FN and a molecular weight of 121.11 g/mol. Its IUPAC name is 4-fluorobenzonitrile.

Molecular Properties

Compound Name4-fluorobenzonitrile
PubChem CID14517
Molecular FormulaC7H4FN
Molecular Weight121.11 g/mol
Exact Mass121.03
IUPAC Name4-fluorobenzonitrile
SMILESN#Cc1ccc(F)cc1
InChIInChI=1S/C7H4FN/c8-7-3-1-6(5-9)2-4-7/h1-4H
InChIKeyAEKVBBNGWBBYLL-UHFFFAOYSA-N
XLogP1.70
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.11
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Benzonitrile
CID 7505
Phenylacetonitrile
CID 8794
Isophthalonitrile
CID 12276
Phthalonitrile
CID 7042
Benzenepropanenitrile
CID 12581
p-Fluorotoluene
CID 9603
3-Tolunitrile
CID 12104
m-Trifluoromethylphenylacetonitrile
CID 75360
p-Tolunitrile
CID 7724
2-Methylbenzonitrile
CID 10721
m-Fluorotoluene
CID 9606
Cinnamonitrile
CID 1550846

Frequently Asked Questions

What is the IUPAC name of 4-fluorobenzonitrile?
The IUPAC name of 4-fluorobenzonitrile (CID 14517) is 4-fluorobenzonitrile.
What is the SMILES notation for 4-fluorobenzonitrile?
The canonical SMILES for 4-fluorobenzonitrile is N#Cc1ccc(F)cc1.
What is the InChIKey of 4-fluorobenzonitrile?
The InChIKey is AEKVBBNGWBBYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4FN/c8-7-3-1-6(5-9)2-4-7/h1-4H.
What are the key properties of 4-fluorobenzonitrile?
4-fluorobenzonitrile has a molecular weight of 121.11 g/mol, XLogP of 1.70, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluorobenzonitrile is sourced from PubChem (CID 14517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).