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

C14H10FNO2S — CID 621417

IUPAC2-fluoro-6-(4-methylsulfinylphenoxy)benzonitrile
SMILESCS(=O)c1ccc(Oc2cccc(F)c2C#N)cc1
InChIInChI=1S/C14H10FNO2S/c1-19(17)11-7-5-10(6-8-11)18-14-4-2-3-13(15)12(14)9-16/h2-8H,1H3
InChIKeySVCXJWWWSBJJFU-UHFFFAOYSA-N
MW275.30 g/mol
LogP3.23
Rot. Bonds3

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

2-fluoro-6-(4-methylsulfinylphenoxy)benzonitrile (PubChem CID 621417) has the molecular formula C14H10FNO2S and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-fluoro-6-(4-methylsulfinylphenoxy)benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-(4-methylsulfinylphenoxy)benzonitrile
PubChem CID621417
Molecular FormulaC14H10FNO2S
Molecular Weight275.30 g/mol
Exact Mass275.04
IUPAC Name2-fluoro-6-(4-methylsulfinylphenoxy)benzonitrile
SMILESCS(=O)c1ccc(Oc2cccc(F)c2C#N)cc1
InChIInChI=1S/C14H10FNO2S/c1-19(17)11-7-5-10(6-8-11)18-14-4-2-3-13(15)12(14)9-16/h2-8H,1H3
InChIKeySVCXJWWWSBJJFU-UHFFFAOYSA-N
XLogP3.23
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Fluoro-6-[4-(methylthio)phenoxy]benzonitrile
CID 621198
2-(3-Cyano-5-fluorophenoxy)-5-(trifluoromethylsulfonyl)benzonitrile
CID 117942322
6-(3,5-Difluorophenoxy)-2-methyl-3-methylsulfonylbenzonitrile
CID 117942337
6-(3-Cyanophenoxy)-3-(difluoromethylsulfonyl)-2-methylbenzonitrile
CID 117942416
2-(Difluoromethyl)-3-(3,5-difluorophenoxy)-6-methylsulfonylbenzonitrile
CID 117942420
3-(3-Cyano-5-fluoro-phenoxy)-2-(difluoromethyl)-6-methylsulfonyl-benzonitrile
CID 117942425
3-(Difluoromethylsulfonyl)-6-(3,5-difluorophenoxy)-2-methylbenzonitrile
CID 117942633
6-(3-Cyano-5-fluorophenoxy)-3-(difluoromethylsulfonyl)-2-methylbenzonitrile
CID 117942655
6-(3-cyano-5-fluorophenoxy)-3-(difluoromethylsulfonyl)-2-[(E)-prop-1-enyl]benzonitrile
CID 117942820
2-(3-Cyano-5-fluorophenoxy)-5-(difluoromethylsulfonyl)benzonitrile
CID 117943021
3-[4-(Difluoromethylsulfonyl)-2-methylphenoxy]-5-fluorobenzonitrile
CID 117947074
2-(3-Chloro-5-fluorophenoxy)-5-(difluoromethylsulfonyl)benzonitrile
CID 122506233

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(4-methylsulfinylphenoxy)benzonitrile?
The IUPAC name of 2-fluoro-6-(4-methylsulfinylphenoxy)benzonitrile (CID 621417) is 2-fluoro-6-(4-methylsulfinylphenoxy)benzonitrile.
What is the SMILES notation for 2-fluoro-6-(4-methylsulfinylphenoxy)benzonitrile?
The canonical SMILES for 2-fluoro-6-(4-methylsulfinylphenoxy)benzonitrile is CS(=O)c1ccc(Oc2cccc(F)c2C#N)cc1.
What is the InChIKey of 2-fluoro-6-(4-methylsulfinylphenoxy)benzonitrile?
The InChIKey is SVCXJWWWSBJJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO2S/c1-19(17)11-7-5-10(6-8-11)18-14-4-2-3-13(15)12(14)9-16/h2-8H,1H3.
What are the key properties of 2-fluoro-6-(4-methylsulfinylphenoxy)benzonitrile?
2-fluoro-6-(4-methylsulfinylphenoxy)benzonitrile has a molecular weight of 275.30 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(4-methylsulfinylphenoxy)benzonitrile is sourced from PubChem (CID 621417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).