2-fluoro-6-(2-methylphenyl)sulfinylbenzonitrile

C14H10FNOS — CID 10539206

IUPAC2-fluoro-6-(2-methylphenyl)sulfinylbenzonitrile
SMILESCc1ccccc1S(=O)c1cccc(F)c1C#N
InChIInChI=1S/C14H10FNOS/c1-10-5-2-3-7-13(10)18(17)14-8-4-6-12(15)11(14)9-16/h2-8H,1H3
InChIKeyDTEDSDISSUZRMK-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.17
Rot. Bonds2

About 2-fluoro-6-(2-methylphenyl)sulfinylbenzonitrile

2-fluoro-6-(2-methylphenyl)sulfinylbenzonitrile (PubChem CID 10539206) has the molecular formula C14H10FNOS and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-fluoro-6-(2-methylphenyl)sulfinylbenzonitrile.

Molecular Properties

Compound Name2-fluoro-6-(2-methylphenyl)sulfinylbenzonitrile
PubChem CID10539206
Molecular FormulaC14H10FNOS
Molecular Weight259.31 g/mol
Exact Mass259.05
IUPAC Name2-fluoro-6-(2-methylphenyl)sulfinylbenzonitrile
SMILESCc1ccccc1S(=O)c1cccc(F)c1C#N
InChIInChI=1S/C14H10FNOS/c1-10-5-2-3-7-13(10)18(17)14-8-4-6-12(15)11(14)9-16/h2-8H,1H3
InChIKeyDTEDSDISSUZRMK-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-6-[(S)-(4-methylphenyl)sulfinyl]benzonitrile
CID 129363821
2-fluoro-6-(2-methylphenyl)sulfonylbenzonitrile
CID 10683774
2,4-dimethyl-1-(2-methylphenyl)sulfinylbenzene
CID 20542545
2-fluoro-6-(4-fluoro-3-methylphenyl)benzonitrile
CID 114898472
2-(3,4-dimethylphenyl)-6-fluorobenzonitrile
CID 114898513
2-fluoro-6-(4-methylsulfinylphenyl)benzonitrile
CID 59882079
2-fluoro-6-propan-2-ylbenzonitrile
CID 59589078
2-(2-amino-6-methylphenoxy)-6-fluorobenzonitrile
CID 113333829
ethane;1-methyl-2-methylsulfinylbenzene
CID 143887984
2-[(2-cyano-3-fluorophenyl)methyl]-6-fluorobenzonitrile
CID 167304274
1-fluoro-2-methylbenzene;formaldehyde
CID 143723361
2-fluoro-6-(2-fluoro-5-methylphenyl)benzonitrile
CID 114898449

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(2-methylphenyl)sulfinylbenzonitrile?
The IUPAC name of 2-fluoro-6-(2-methylphenyl)sulfinylbenzonitrile (CID 10539206) is 2-fluoro-6-(2-methylphenyl)sulfinylbenzonitrile.
What is the SMILES notation for 2-fluoro-6-(2-methylphenyl)sulfinylbenzonitrile?
The canonical SMILES for 2-fluoro-6-(2-methylphenyl)sulfinylbenzonitrile is Cc1ccccc1S(=O)c1cccc(F)c1C#N.
What is the InChIKey of 2-fluoro-6-(2-methylphenyl)sulfinylbenzonitrile?
The InChIKey is DTEDSDISSUZRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNOS/c1-10-5-2-3-7-13(10)18(17)14-8-4-6-12(15)11(14)9-16/h2-8H,1H3.
What are the key properties of 2-fluoro-6-(2-methylphenyl)sulfinylbenzonitrile?
2-fluoro-6-(2-methylphenyl)sulfinylbenzonitrile has a molecular weight of 259.31 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(2-methylphenyl)sulfinylbenzonitrile is sourced from PubChem (CID 10539206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).