3-benzoyl-4-fluorobenzonitrile

C14H8FNO — CID 83393087

IUPAC3-benzoyl-4-fluorobenzonitrile
SMILESN#Cc1ccc(F)c(C(=O)c2ccccc2)c1
InChIInChI=1S/C14H8FNO/c15-13-7-6-10(9-16)8-12(13)14(17)11-4-2-1-3-5-11/h1-8H
InChIKeyJTHDMFZBLFLKQC-UHFFFAOYSA-N
MW225.22 g/mol
LogP2.93
Rot. Bonds2

About 3-benzoyl-4-fluorobenzonitrile

3-benzoyl-4-fluorobenzonitrile (PubChem CID 83393087) has the molecular formula C14H8FNO and a molecular weight of 225.22 g/mol. Its IUPAC name is 3-benzoyl-4-fluorobenzonitrile.

Molecular Properties

Compound Name3-benzoyl-4-fluorobenzonitrile
PubChem CID83393087
Molecular FormulaC14H8FNO
Molecular Weight225.22 g/mol
Exact Mass225.06
IUPAC Name3-benzoyl-4-fluorobenzonitrile
SMILESN#Cc1ccc(F)c(C(=O)c2ccccc2)c1
InChIInChI=1S/C14H8FNO/c15-13-7-6-10(9-16)8-12(13)14(17)11-4-2-1-3-5-11/h1-8H
InChIKeyJTHDMFZBLFLKQC-UHFFFAOYSA-N
XLogP2.93
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-4-fluorobenzonitrile?
The IUPAC name of 3-benzoyl-4-fluorobenzonitrile (CID 83393087) is 3-benzoyl-4-fluorobenzonitrile.
What is the SMILES notation for 3-benzoyl-4-fluorobenzonitrile?
The canonical SMILES for 3-benzoyl-4-fluorobenzonitrile is N#Cc1ccc(F)c(C(=O)c2ccccc2)c1.
What is the InChIKey of 3-benzoyl-4-fluorobenzonitrile?
The InChIKey is JTHDMFZBLFLKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8FNO/c15-13-7-6-10(9-16)8-12(13)14(17)11-4-2-1-3-5-11/h1-8H.
What are the key properties of 3-benzoyl-4-fluorobenzonitrile?
3-benzoyl-4-fluorobenzonitrile has a molecular weight of 225.22 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-4-fluorobenzonitrile is sourced from PubChem (CID 83393087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).