2-fluoro-6-methoxy-3-sulfanylbenzonitrile

C8H6FNOS — CID 171022670

IUPAC2-fluoro-6-methoxy-3-sulfanylbenzonitrile
SMILESCOc1ccc(S)c(F)c1C#N
InChIInChI=1S/C8H6FNOS/c1-11-6-2-3-7(12)8(9)5(6)4-10/h2-3,12H,1H3
InChIKeyFOEHIOPRZDCZPW-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.99
Rot. Bonds1

About 2-fluoro-6-methoxy-3-sulfanylbenzonitrile

2-fluoro-6-methoxy-3-sulfanylbenzonitrile (PubChem CID 171022670) has the molecular formula C8H6FNOS and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-fluoro-6-methoxy-3-sulfanylbenzonitrile.

Molecular Properties

Compound Name2-fluoro-6-methoxy-3-sulfanylbenzonitrile
PubChem CID171022670
Molecular FormulaC8H6FNOS
Molecular Weight183.21 g/mol
Exact Mass183.02
IUPAC Name2-fluoro-6-methoxy-3-sulfanylbenzonitrile
SMILESCOc1ccc(S)c(F)c1C#N
InChIInChI=1S/C8H6FNOS/c1-11-6-2-3-7(12)8(9)5(6)4-10/h2-3,12H,1H3
InChIKeyFOEHIOPRZDCZPW-UHFFFAOYSA-N
XLogP1.99
TPSA33.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-fluoro-6-methoxy-3-sulfanylbenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-6-methyl-3-sulfanylbenzonitrile
CID 171010516
methyl 3-cyano-2-fluoro-4-methoxybenzoate
CID 134647147
2-fluoro-3,4-dimethoxybenzenethiol
CID 130971498
ethane;2-fluoro-3-methoxy-6-methylbenzonitrile
CID 144958009
2-fluoro-6-(hydroxymethyl)-3-methoxybenzonitrile
CID 131297253
6-fluoro-2-hydroxy-3-methoxybenzonitrile
CID 117276436
2-acetyl-3-fluoro-6-methoxybenzonitrile
CID 83410546
3-methoxy-4-sulfanylbenzonitrile
CID 4713200
ethyl 2-cyano-3-fluoro-4-sulfanylbenzoate
CID 134641661
2-cyano-6-fluoro-3-methoxybenzenesulfonyl chloride
CID 55279109
CID 174527216
CID 174527216
2-fluoro-3-iodo-4-methoxybenzonitrile
CID 131285926

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-methoxy-3-sulfanylbenzonitrile?
The IUPAC name of 2-fluoro-6-methoxy-3-sulfanylbenzonitrile (CID 171022670) is 2-fluoro-6-methoxy-3-sulfanylbenzonitrile.
What is the SMILES notation for 2-fluoro-6-methoxy-3-sulfanylbenzonitrile?
The canonical SMILES for 2-fluoro-6-methoxy-3-sulfanylbenzonitrile is COc1ccc(S)c(F)c1C#N.
What is the InChIKey of 2-fluoro-6-methoxy-3-sulfanylbenzonitrile?
The InChIKey is FOEHIOPRZDCZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FNOS/c1-11-6-2-3-7(12)8(9)5(6)4-10/h2-3,12H,1H3.
What are the key properties of 2-fluoro-6-methoxy-3-sulfanylbenzonitrile?
2-fluoro-6-methoxy-3-sulfanylbenzonitrile has a molecular weight of 183.21 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-methoxy-3-sulfanylbenzonitrile is sourced from PubChem (CID 171022670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).