2-fluoro-6-(2-fluoro-5-methylphenyl)benzonitrile

C14H9F2N — CID 114898449

IUPAC2-fluoro-6-(2-fluoro-5-methylphenyl)benzonitrile
SMILESCc1ccc(F)c(-c2cccc(F)c2C#N)c1
InChIInChI=1S/C14H9F2N/c1-9-5-6-14(16)11(7-9)10-3-2-4-13(15)12(10)8-17/h2-7H,1H3
InChIKeyFCQGMRQWIFZRTR-UHFFFAOYSA-N
MW229.23 g/mol
LogP3.81
Rot. Bonds1

About 2-fluoro-6-(2-fluoro-5-methylphenyl)benzonitrile

2-fluoro-6-(2-fluoro-5-methylphenyl)benzonitrile (PubChem CID 114898449) has the molecular formula C14H9F2N and a molecular weight of 229.23 g/mol. Its IUPAC name is 2-fluoro-6-(2-fluoro-5-methylphenyl)benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-(2-fluoro-5-methylphenyl)benzonitrile
PubChem CID114898449
Molecular FormulaC14H9F2N
Molecular Weight229.23 g/mol
Exact Mass229.07
IUPAC Name2-fluoro-6-(2-fluoro-5-methylphenyl)benzonitrile
SMILESCc1ccc(F)c(-c2cccc(F)c2C#N)c1
InChIInChI=1S/C14H9F2N/c1-9-5-6-14(16)11(7-9)10-3-2-4-13(15)12(10)8-17/h2-7H,1H3
InChIKeyFCQGMRQWIFZRTR-UHFFFAOYSA-N
XLogP3.81
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 53.81
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-(2-fluoro-5-methylphenyl)-4-methylbenzonitrile
CID 172915416
1-fluoro-2-(2-fluoro-3-methylphenyl)-4-methylbenzene
CID 169173470
2-(3,4-dimethylphenyl)-6-fluorobenzonitrile
CID 114898513
2-[5-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-2-fluorophenyl]-6-fluorobenzonitrile
CID 11515381
2-fluoro-6-naphthalen-1-ylbenzonitrile
CID 114898445
2-(2-bromophenyl)-1-fluoro-4-methylbenzene
CID 90775083
2-fluoro-6-(furan-2-yl)benzonitrile
CID 114898559
2-fluoro-1,3-bis(2-fluoro-5-methylphenyl)-5-methylbenzene
CID 13230580
2-(2-fluorophenyl)-1,4-dimethylbenzene
CID 66641436
2-fluoro-1-(2-fluorophenyl)-4-methylbenzene
CID 46313956
2-(2-fluoro-5-methoxyphenyl)-4-methylbenzonitrile
CID 172915420

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(2-fluoro-5-methylphenyl)benzonitrile?
The IUPAC name of 2-fluoro-6-(2-fluoro-5-methylphenyl)benzonitrile (CID 114898449) is 2-fluoro-6-(2-fluoro-5-methylphenyl)benzonitrile.
What is the SMILES notation for 2-fluoro-6-(2-fluoro-5-methylphenyl)benzonitrile?
The canonical SMILES for 2-fluoro-6-(2-fluoro-5-methylphenyl)benzonitrile is Cc1ccc(F)c(-c2cccc(F)c2C#N)c1.
What is the InChIKey of 2-fluoro-6-(2-fluoro-5-methylphenyl)benzonitrile?
The InChIKey is FCQGMRQWIFZRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2N/c1-9-5-6-14(16)11(7-9)10-3-2-4-13(15)12(10)8-17/h2-7H,1H3.
What are the key properties of 2-fluoro-6-(2-fluoro-5-methylphenyl)benzonitrile?
2-fluoro-6-(2-fluoro-5-methylphenyl)benzonitrile has a molecular weight of 229.23 g/mol, XLogP of 3.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(2-fluoro-5-methylphenyl)benzonitrile is sourced from PubChem (CID 114898449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).