2-fluoro-4-methylsulfinylbenzonitrile

C8H6FNOS — CID 174846235

IUPAC2-fluoro-4-methylsulfinylbenzonitrile
SMILESCS(=O)c1ccc(C#N)c(F)c1
InChIInChI=1S/C8H6FNOS/c1-12(11)7-3-2-6(5-10)8(9)4-7/h2-4H,1H3
InChIKeySQBNNEYMYPBSHG-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.43
Rot. Bonds1

About 2-fluoro-4-methylsulfinylbenzonitrile

2-fluoro-4-methylsulfinylbenzonitrile (PubChem CID 174846235) has the molecular formula C8H6FNOS and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-fluoro-4-methylsulfinylbenzonitrile.

Molecular Properties

Compound Name2-fluoro-4-methylsulfinylbenzonitrile
PubChem CID174846235
Molecular FormulaC8H6FNOS
Molecular Weight183.21 g/mol
Exact Mass183.02
IUPAC Name2-fluoro-4-methylsulfinylbenzonitrile
SMILESCS(=O)c1ccc(C#N)c(F)c1
InChIInChI=1S/C8H6FNOS/c1-12(11)7-3-2-6(5-10)8(9)4-7/h2-4H,1H3
InChIKeySQBNNEYMYPBSHG-UHFFFAOYSA-N
XLogP1.43
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methylsulfinylbenzonitrile?
The IUPAC name of 2-fluoro-4-methylsulfinylbenzonitrile (CID 174846235) is 2-fluoro-4-methylsulfinylbenzonitrile.
What is the SMILES notation for 2-fluoro-4-methylsulfinylbenzonitrile?
The canonical SMILES for 2-fluoro-4-methylsulfinylbenzonitrile is CS(=O)c1ccc(C#N)c(F)c1.
What is the InChIKey of 2-fluoro-4-methylsulfinylbenzonitrile?
The InChIKey is SQBNNEYMYPBSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FNOS/c1-12(11)7-3-2-6(5-10)8(9)4-7/h2-4H,1H3.
What are the key properties of 2-fluoro-4-methylsulfinylbenzonitrile?
2-fluoro-4-methylsulfinylbenzonitrile has a molecular weight of 183.21 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methylsulfinylbenzonitrile is sourced from PubChem (CID 174846235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).