2-(3,4-dimethylphenyl)-6-fluorobenzonitrile

C15H12FN — CID 114898513

IUPAC2-(3,4-dimethylphenyl)-6-fluorobenzonitrile
SMILESCc1ccc(-c2cccc(F)c2C#N)cc1C
InChIInChI=1S/C15H12FN/c1-10-6-7-12(8-11(10)2)13-4-3-5-15(16)14(13)9-17/h3-8H,1-2H3
InChIKeyHNUKRTZAFFQXHA-UHFFFAOYSA-N
MW225.27 g/mol
LogP3.98
Rot. Bonds1

About 2-(3,4-dimethylphenyl)-6-fluorobenzonitrile

2-(3,4-dimethylphenyl)-6-fluorobenzonitrile (PubChem CID 114898513) has the molecular formula C15H12FN and a molecular weight of 225.27 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-6-fluorobenzonitrile
PubChem CID114898513
Molecular FormulaC15H12FN
Molecular Weight225.27 g/mol
Exact Mass225.10
IUPAC Name2-(3,4-dimethylphenyl)-6-fluorobenzonitrile
SMILESCc1ccc(-c2cccc(F)c2C#N)cc1C
InChIInChI=1S/C15H12FN/c1-10-6-7-12(8-11(10)2)13-4-3-5-15(16)14(13)9-17/h3-8H,1-2H3
InChIKeyHNUKRTZAFFQXHA-UHFFFAOYSA-N
XLogP3.98
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-6-(4-fluoro-3-methylphenyl)benzonitrile
CID 114898472
2-fluoro-6-naphthalen-2-ylbenzonitrile
CID 114898467
2-fluoro-6-(2-methylquinolin-6-yl)benzonitrile
CID 114898657
2-fluoro-6-[4-(hydroxymethyl)phenyl]benzonitrile
CID 67529789
2-fluoro-6-(2-fluoro-5-methylphenyl)benzonitrile
CID 114898449
2-fluoro-6-(4-methylsulfinylphenyl)benzonitrile
CID 59882079
4-[4-(2-fluorophenyl)-2-methylphenyl]benzonitrile
CID 118264823
1,2-difluoro-3-(4-fluoro-3-methylphenyl)benzene
CID 134627237
2-[2-(3,4-dimethylphenyl)phenyl]acetonitrile
CID 82107009
2-amino-4-(4-chloro-3-fluorophenyl)-6-(3,4-dimethylphenyl)pyridine-3-carbonitrile
CID 3498060
1-(3,4-dimethylphenyl)-2,3-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene
CID 143079541
3-(2-cyano-3-fluorophenyl)-5-fluorobenzoic acid
CID 103186678

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-6-fluorobenzonitrile?
The IUPAC name of 2-(3,4-dimethylphenyl)-6-fluorobenzonitrile (CID 114898513) is 2-(3,4-dimethylphenyl)-6-fluorobenzonitrile.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-6-fluorobenzonitrile?
The canonical SMILES for 2-(3,4-dimethylphenyl)-6-fluorobenzonitrile is Cc1ccc(-c2cccc(F)c2C#N)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-6-fluorobenzonitrile?
The InChIKey is HNUKRTZAFFQXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN/c1-10-6-7-12(8-11(10)2)13-4-3-5-15(16)14(13)9-17/h3-8H,1-2H3.
What are the key properties of 2-(3,4-dimethylphenyl)-6-fluorobenzonitrile?
2-(3,4-dimethylphenyl)-6-fluorobenzonitrile has a molecular weight of 225.27 g/mol, XLogP of 3.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-6-fluorobenzonitrile is sourced from PubChem (CID 114898513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).