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

C14H10FNOS — CID 621198

IUPAC2-fluoro-6-(4-methylsulfanylphenoxy)benzonitrile
SMILESCSc1ccc(Oc2cccc(F)c2C#N)cc1
InChIInChI=1S/C14H10FNOS/c1-18-11-7-5-10(6-8-11)17-14-4-2-3-13(15)12(14)9-16/h2-8H,1H3
InChIKeyKIJMTRJIUKHLPE-UHFFFAOYSA-N
MW259.31 g/mol
LogP4.21
Rot. Bonds3

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

2-fluoro-6-(4-methylsulfanylphenoxy)benzonitrile (PubChem CID 621198) has the molecular formula C14H10FNOS and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-fluoro-6-(4-methylsulfanylphenoxy)benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-(4-methylsulfanylphenoxy)benzonitrile
PubChem CID621198
Molecular FormulaC14H10FNOS
Molecular Weight259.31 g/mol
Exact Mass259.05
IUPAC Name2-fluoro-6-(4-methylsulfanylphenoxy)benzonitrile
SMILESCSc1ccc(Oc2cccc(F)c2C#N)cc1
InChIInChI=1S/C14H10FNOS/c1-18-11-7-5-10(6-8-11)17-14-4-2-3-13(15)12(14)9-16/h2-8H,1H3
InChIKeyKIJMTRJIUKHLPE-UHFFFAOYSA-N
XLogP4.21
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Butylthio)-2-methoxybenzonitrile
CID 44564582
4-(Isopropylthio)-2-methoxybenzonitrile
CID 44157042
2-Methoxy-4-(propylthio)benzonitrile
CID 44564581
4-[(4-Methoxybenzyl)thio]benzonitrile
CID 59601689
2-Fluoro-6-(4-methylphenoxy)benzonitrile
CID 2737395
2-Phenoxybenzonitrile
CID 12548616
2-Fluoro-6-phenoxybenzonitrile
CID 2737453
Benzonitrile, 4-(4-(methylsulfonyl)phenoxy)-
CID 514876
2-Fluoro-6-(4-(methylsulfinyl)phenoxy)benzonitrile
CID 621417
2-(3-Cyano-5-fluorophenoxy)-5-(trifluoromethylsulfonyl)benzonitrile
CID 117942322
6-(3,5-Difluorophenoxy)-2-methyl-3-methylsulfonylbenzonitrile
CID 117942337
2-(Difluoromethyl)-3-(3,5-difluorophenoxy)-6-methylsulfonylbenzonitrile
CID 117942420

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(4-methylsulfanylphenoxy)benzonitrile?
The IUPAC name of 2-fluoro-6-(4-methylsulfanylphenoxy)benzonitrile (CID 621198) is 2-fluoro-6-(4-methylsulfanylphenoxy)benzonitrile.
What is the SMILES notation for 2-fluoro-6-(4-methylsulfanylphenoxy)benzonitrile?
The canonical SMILES for 2-fluoro-6-(4-methylsulfanylphenoxy)benzonitrile is CSc1ccc(Oc2cccc(F)c2C#N)cc1.
What is the InChIKey of 2-fluoro-6-(4-methylsulfanylphenoxy)benzonitrile?
The InChIKey is KIJMTRJIUKHLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNOS/c1-18-11-7-5-10(6-8-11)17-14-4-2-3-13(15)12(14)9-16/h2-8H,1H3.
What are the key properties of 2-fluoro-6-(4-methylsulfanylphenoxy)benzonitrile?
2-fluoro-6-(4-methylsulfanylphenoxy)benzonitrile has a molecular weight of 259.31 g/mol, XLogP of 4.21, 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-methylsulfanylphenoxy)benzonitrile is sourced from PubChem (CID 621198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).