2-fluoro-6-(4-methylsulfinylphenyl)benzonitrile

C14H10FNOS — CID 59882079

IUPAC2-fluoro-6-(4-methylsulfinylphenyl)benzonitrile
SMILESCS(=O)c1ccc(-c2cccc(F)c2C#N)cc1
InChIInChI=1S/C14H10FNOS/c1-18(17)11-7-5-10(6-8-11)12-3-2-4-14(15)13(12)9-16/h2-8H,1H3
InChIKeyIKYGYOHWVBJSMB-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.10
Rot. Bonds2

About 2-fluoro-6-(4-methylsulfinylphenyl)benzonitrile

2-fluoro-6-(4-methylsulfinylphenyl)benzonitrile (PubChem CID 59882079) has the molecular formula C14H10FNOS and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-fluoro-6-(4-methylsulfinylphenyl)benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-(4-methylsulfinylphenyl)benzonitrile
PubChem CID59882079
Molecular FormulaC14H10FNOS
Molecular Weight259.31 g/mol
Exact Mass259.05
IUPAC Name2-fluoro-6-(4-methylsulfinylphenyl)benzonitrile
SMILESCS(=O)c1ccc(-c2cccc(F)c2C#N)cc1
InChIInChI=1S/C14H10FNOS/c1-18(17)11-7-5-10(6-8-11)12-3-2-4-14(15)13(12)9-16/h2-8H,1H3
InChIKeyIKYGYOHWVBJSMB-UHFFFAOYSA-N
XLogP3.10
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-6-(4-fluoro-3-methylphenyl)benzonitrile
CID 114898472
2-fluoro-6-[4-(hydroxymethyl)phenyl]benzonitrile
CID 67529789
2-(3,4-dimethylphenyl)-6-fluorobenzonitrile
CID 114898513
2-fluoro-6-[(S)-(4-methylphenyl)sulfinyl]benzonitrile
CID 129363821
2-fluoro-6-naphthalen-2-ylbenzonitrile
CID 114898467
2-fluoro-6-(2-methylquinolin-6-yl)benzonitrile
CID 114898657
3-(2-cyano-3-fluorophenyl)-5-fluorobenzoic acid
CID 103186678
2-fluoro-4-methylsulfinylbenzonitrile
CID 174846235
2-fluoro-6-(2-fluoro-5-methylphenyl)benzonitrile
CID 114898449
2-fluoro-6-naphthalen-1-ylbenzonitrile
CID 114898445
2-(3-fluorophenyl)-3-(4-methylsulfinylphenyl)pyridine
CID 57228575
2-fluoro-6-(2-methylphenyl)sulfinylbenzonitrile
CID 10539206

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(4-methylsulfinylphenyl)benzonitrile?
The IUPAC name of 2-fluoro-6-(4-methylsulfinylphenyl)benzonitrile (CID 59882079) is 2-fluoro-6-(4-methylsulfinylphenyl)benzonitrile.
What is the SMILES notation for 2-fluoro-6-(4-methylsulfinylphenyl)benzonitrile?
The canonical SMILES for 2-fluoro-6-(4-methylsulfinylphenyl)benzonitrile is CS(=O)c1ccc(-c2cccc(F)c2C#N)cc1.
What is the InChIKey of 2-fluoro-6-(4-methylsulfinylphenyl)benzonitrile?
The InChIKey is IKYGYOHWVBJSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNOS/c1-18(17)11-7-5-10(6-8-11)12-3-2-4-14(15)13(12)9-16/h2-8H,1H3.
What are the key properties of 2-fluoro-6-(4-methylsulfinylphenyl)benzonitrile?
2-fluoro-6-(4-methylsulfinylphenyl)benzonitrile has a molecular weight of 259.31 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(4-methylsulfinylphenyl)benzonitrile is sourced from PubChem (CID 59882079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).