2-fluoro-6-(2-methoxyethylsulfanyl)benzonitrile

C10H10FNOS — CID 71991047

IUPAC2-fluoro-6-(2-methoxyethylsulfanyl)benzonitrile
SMILESCOCCSc1cccc(F)c1C#N
InChIInChI=1S/C10H10FNOS/c1-13-5-6-14-10-4-2-3-9(11)8(10)7-12/h2-4H,5-6H2,1H3
InChIKeyDIRCPJVDZYXLFL-UHFFFAOYSA-N
MW211.26 g/mol
LogP2.44
Rot. Bonds4

About 2-fluoro-6-(2-methoxyethylsulfanyl)benzonitrile

2-fluoro-6-(2-methoxyethylsulfanyl)benzonitrile (PubChem CID 71991047) has the molecular formula C10H10FNOS and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-fluoro-6-(2-methoxyethylsulfanyl)benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-(2-methoxyethylsulfanyl)benzonitrile
PubChem CID71991047
Molecular FormulaC10H10FNOS
Molecular Weight211.26 g/mol
Exact Mass211.05
IUPAC Name2-fluoro-6-(2-methoxyethylsulfanyl)benzonitrile
SMILESCOCCSc1cccc(F)c1C#N
InChIInChI=1S/C10H10FNOS/c1-13-5-6-14-10-4-2-3-9(11)8(10)7-12/h2-4H,5-6H2,1H3
InChIKeyDIRCPJVDZYXLFL-UHFFFAOYSA-N
XLogP2.44
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-6-(4-methoxybutoxy)benzonitrile
CID 115777027
propan-2-yl 2-(2-cyano-3-fluorophenyl)sulfanylacetate
CID 133353876
1-[2-fluoro-6-(2-methoxyethylsulfanyl)phenyl]butan-2-amine
CID 114066518
2-fluoro-6-(2-methoxyethylsulfanyl)benzenecarboximidamide
CID 79522698
(2R)-2-acetamido-3-(2-cyano-3-fluorophenyl)sulfanylpropanoic acid
CID 107775179
2-(2-cyano-3-fluoroanilino)-4-methoxybutanoic acid
CID 79513203
(1R)-1-[2-fluoro-6-(3-methoxypropylsulfanyl)phenyl]ethanol
CID 63855818
2-(2-methoxyethylsulfanyl)-3-methylbenzonitrile
CID 107110812
1-[2-fluoro-6-(3-methoxypropylsulfanyl)phenyl]ethanone
CID 63856295
3-(2-cyano-3-fluorophenyl)sulfanylbutanoic acid
CID 79519684
5-bromo-2-(2-methoxyethylsulfanyl)benzonitrile
CID 114893432
2-(4-tert-butylphenyl)sulfanyl-6-fluorobenzonitrile
CID 79523105

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(2-methoxyethylsulfanyl)benzonitrile?
The IUPAC name of 2-fluoro-6-(2-methoxyethylsulfanyl)benzonitrile (CID 71991047) is 2-fluoro-6-(2-methoxyethylsulfanyl)benzonitrile.
What is the SMILES notation for 2-fluoro-6-(2-methoxyethylsulfanyl)benzonitrile?
The canonical SMILES for 2-fluoro-6-(2-methoxyethylsulfanyl)benzonitrile is COCCSc1cccc(F)c1C#N.
What is the InChIKey of 2-fluoro-6-(2-methoxyethylsulfanyl)benzonitrile?
The InChIKey is DIRCPJVDZYXLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNOS/c1-13-5-6-14-10-4-2-3-9(11)8(10)7-12/h2-4H,5-6H2,1H3.
What are the key properties of 2-fluoro-6-(2-methoxyethylsulfanyl)benzonitrile?
2-fluoro-6-(2-methoxyethylsulfanyl)benzonitrile has a molecular weight of 211.26 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(2-methoxyethylsulfanyl)benzonitrile is sourced from PubChem (CID 71991047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).