2-fluoro-3-(oxetan-3-ylsulfanylmethyl)benzonitrile

C11H10FNOS — CID 107118343

IUPAC2-fluoro-3-(oxetan-3-ylsulfanylmethyl)benzonitrile
SMILESN#Cc1cccc(CSC2COC2)c1F
InChIInChI=1S/C11H10FNOS/c12-11-8(4-13)2-1-3-9(11)7-15-10-5-14-6-10/h1-3,10H,5-7H2
InChIKeyOEBXINKQPDLYGH-UHFFFAOYSA-N
MW223.27 g/mol
LogP2.33
Rot. Bonds3

About 2-fluoro-3-(oxetan-3-ylsulfanylmethyl)benzonitrile

2-fluoro-3-(oxetan-3-ylsulfanylmethyl)benzonitrile (PubChem CID 107118343) has the molecular formula C11H10FNOS and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-fluoro-3-(oxetan-3-ylsulfanylmethyl)benzonitrile.

Molecular Properties

Compound Name2-fluoro-3-(oxetan-3-ylsulfanylmethyl)benzonitrile
PubChem CID107118343
Molecular FormulaC11H10FNOS
Molecular Weight223.27 g/mol
Exact Mass223.05
IUPAC Name2-fluoro-3-(oxetan-3-ylsulfanylmethyl)benzonitrile
SMILESN#Cc1cccc(CSC2COC2)c1F
InChIInChI=1S/C11H10FNOS/c12-11-8(4-13)2-1-3-9(11)7-15-10-5-14-6-10/h1-3,10H,5-7H2
InChIKeyOEBXINKQPDLYGH-UHFFFAOYSA-N
XLogP2.33
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-fluoro-3-(oxetan-3-ylsulfanylmethyl)benzonitrile 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

3-(cyclopentylsulfanylmethyl)-2-fluorobenzonitrile
CID 103912199
3-(benzylsulfanylmethyl)-2-fluorobenzonitrile
CID 103886667
2-fluoro-3-[(2-hydroxyphenyl)sulfanylmethyl]benzonitrile
CID 113350332
3-[(cyclopropylmethylamino)methyl]-2-fluorobenzonitrile
CID 107114329
3-[(2,4-difluorophenyl)sulfanylmethyl]-2-fluorobenzonitrile
CID 103912232
(3-cyano-2-fluorophenyl)methyl N'-aminocarbamimidothioate
CID 107120195
3-[[4-(aminomethyl)phenyl]sulfanylmethyl]-2-fluorobenzonitrile
CID 107119986
3-(1-aminopropan-2-ylsulfanylmethyl)-2-fluorobenzonitrile
CID 107118287
3-[2-(dimethylamino)ethylsulfanylmethyl]-2-fluorobenzonitrile
CID 103912333
3-[(2-cyclopropylethylamino)methyl]-2-fluorobenzonitrile
CID 107114649
2-fluoro-3-[(4-propan-2-ylphenyl)sulfanylmethyl]benzonitrile
CID 107118316
2-fluoro-3-[[(2-methylcyclopropyl)methylamino]methyl]benzonitrile
CID 107114810

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(oxetan-3-ylsulfanylmethyl)benzonitrile?
The IUPAC name of 2-fluoro-3-(oxetan-3-ylsulfanylmethyl)benzonitrile (CID 107118343) is 2-fluoro-3-(oxetan-3-ylsulfanylmethyl)benzonitrile.
What is the SMILES notation for 2-fluoro-3-(oxetan-3-ylsulfanylmethyl)benzonitrile?
The canonical SMILES for 2-fluoro-3-(oxetan-3-ylsulfanylmethyl)benzonitrile is N#Cc1cccc(CSC2COC2)c1F.
What is the InChIKey of 2-fluoro-3-(oxetan-3-ylsulfanylmethyl)benzonitrile?
The InChIKey is OEBXINKQPDLYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNOS/c12-11-8(4-13)2-1-3-9(11)7-15-10-5-14-6-10/h1-3,10H,5-7H2.
What are the key properties of 2-fluoro-3-(oxetan-3-ylsulfanylmethyl)benzonitrile?
2-fluoro-3-(oxetan-3-ylsulfanylmethyl)benzonitrile has a molecular weight of 223.27 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(oxetan-3-ylsulfanylmethyl)benzonitrile is sourced from PubChem (CID 107118343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).