4-(2-benzoylphenyl)-2-fluorobenzonitrile

C20H12FNO — CID 132599326

IUPAC4-(2-benzoylphenyl)-2-fluorobenzonitrile
SMILESN#Cc1ccc(-c2ccccc2C(=O)c2ccccc2)cc1F
InChIInChI=1S/C20H12FNO/c21-19-12-15(10-11-16(19)13-22)17-8-4-5-9-18(17)20(23)14-6-2-1-3-7-14/h1-12H
InChIKeyCFMHSHDUOFHCEG-UHFFFAOYSA-N
MW301.32 g/mol
LogP4.60
Rot. Bonds3

About 4-(2-benzoylphenyl)-2-fluorobenzonitrile

4-(2-benzoylphenyl)-2-fluorobenzonitrile (PubChem CID 132599326) has the molecular formula C20H12FNO and a molecular weight of 301.32 g/mol. Its IUPAC name is 4-(2-benzoylphenyl)-2-fluorobenzonitrile.

Molecular Properties

Compound Name4-(2-benzoylphenyl)-2-fluorobenzonitrile
PubChem CID132599326
Molecular FormulaC20H12FNO
Molecular Weight301.32 g/mol
Exact Mass301.09
IUPAC Name4-(2-benzoylphenyl)-2-fluorobenzonitrile
SMILESN#Cc1ccc(-c2ccccc2C(=O)c2ccccc2)cc1F
InChIInChI=1S/C20H12FNO/c21-19-12-15(10-11-16(19)13-22)17-8-4-5-9-18(17)20(23)14-6-2-1-3-7-14/h1-12H
InChIKeyCFMHSHDUOFHCEG-UHFFFAOYSA-N
XLogP4.60
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-cyano-3-fluorophenyl)-4-iodobenzoic acid
CID 121271136
phenyl-[2-(2-phenylbenzoyl)phenyl]methanone
CID 141429590
[2-(3-chlorophenyl)phenyl]-phenylmethanone
CID 174644263
3-benzoyl-4-fluorobenzonitrile
CID 83393087
2-fluoro-4-[2-(trifluoromethoxy)phenyl]benzonitrile
CID 134628099
6,7-dibenzoylnaphthalene-2,3-dicarbonitrile
CID 44556911
(4-bromophenyl)-[2-(4-bromophenyl)phenyl]methanone
CID 141419819
2-[3-benzoyl-4-(2-oxo-2-phenylacetyl)phenyl]benzoic acid
CID 118469532
2-[2-[5-chloro-4-(4-cyano-3-fluorophenyl)thiophen-2-yl]ethyl]benzamide
CID 173122877
6-[3-benzoyl-2-(2,4,6-trimethylphenyl)phenyl]-2-phenylpyridine-3-carbonitrile
CID 175217932
[2-(3H-benzimidazol-5-yl)phenyl]-phenylmethanone
CID 90027627
5-(2-chlorophenyl)-2-cyanobenzoic acid
CID 174620913

Frequently Asked Questions

What is the IUPAC name of 4-(2-benzoylphenyl)-2-fluorobenzonitrile?
The IUPAC name of 4-(2-benzoylphenyl)-2-fluorobenzonitrile (CID 132599326) is 4-(2-benzoylphenyl)-2-fluorobenzonitrile.
What is the SMILES notation for 4-(2-benzoylphenyl)-2-fluorobenzonitrile?
The canonical SMILES for 4-(2-benzoylphenyl)-2-fluorobenzonitrile is N#Cc1ccc(-c2ccccc2C(=O)c2ccccc2)cc1F.
What is the InChIKey of 4-(2-benzoylphenyl)-2-fluorobenzonitrile?
The InChIKey is CFMHSHDUOFHCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12FNO/c21-19-12-15(10-11-16(19)13-22)17-8-4-5-9-18(17)20(23)14-6-2-1-3-7-14/h1-12H.
What are the key properties of 4-(2-benzoylphenyl)-2-fluorobenzonitrile?
4-(2-benzoylphenyl)-2-fluorobenzonitrile has a molecular weight of 301.32 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-benzoylphenyl)-2-fluorobenzonitrile is sourced from PubChem (CID 132599326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).