2-fluoro-3-[(2-hydroxyphenyl)sulfanylmethyl]benzonitrile

C14H10FNOS — CID 113350332

IUPAC2-fluoro-3-[(2-hydroxyphenyl)sulfanylmethyl]benzonitrile
SMILESN#Cc1cccc(CSc2ccccc2O)c1F
InChIInChI=1S/C14H10FNOS/c15-14-10(8-16)4-3-5-11(14)9-18-13-7-2-1-6-12(13)17/h1-7,17H,9H2
InChIKeyAJJCBELUDBVQAM-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.70
Rot. Bonds3

About 2-fluoro-3-[(2-hydroxyphenyl)sulfanylmethyl]benzonitrile

2-fluoro-3-[(2-hydroxyphenyl)sulfanylmethyl]benzonitrile (PubChem CID 113350332) has the molecular formula C14H10FNOS and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-fluoro-3-[(2-hydroxyphenyl)sulfanylmethyl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-3-[(2-hydroxyphenyl)sulfanylmethyl]benzonitrile
PubChem CID113350332
Molecular FormulaC14H10FNOS
Molecular Weight259.31 g/mol
Exact Mass259.05
IUPAC Name2-fluoro-3-[(2-hydroxyphenyl)sulfanylmethyl]benzonitrile
SMILESN#Cc1cccc(CSc2ccccc2O)c1F
InChIInChI=1S/C14H10FNOS/c15-14-10(8-16)4-3-5-11(14)9-18-13-7-2-1-6-12(13)17/h1-7,17H,9H2
InChIKeyAJJCBELUDBVQAM-UHFFFAOYSA-N
XLogP3.70
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-2-[(2-hydroxyphenyl)sulfanylmethyl]benzonitrile
CID 64765962
3-[(2,4-difluorophenyl)sulfanylmethyl]-2-fluorobenzonitrile
CID 103912232
2-fluoro-3-[(4-propan-2-ylphenyl)sulfanylmethyl]benzonitrile
CID 107118316
3-[(2-amino-5-fluorophenyl)sulfanylmethyl]-2-fluorobenzonitrile
CID 107118300
3-(benzylsulfanylmethyl)-2-fluorobenzonitrile
CID 103886667
3-[[4-(aminomethyl)phenyl]sulfanylmethyl]-2-fluorobenzonitrile
CID 107119986
2-fluoro-5-[(2-hydroxyphenyl)sulfanylmethyl]benzonitrile
CID 103758898
2-fluoro-3-(quinazolin-4-ylsulfanylmethyl)benzonitrile
CID 103912204
3-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]-2-fluorobenzonitrile
CID 107118334
3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-fluorobenzonitrile
CID 75397691
(3-cyano-2-fluorophenyl)methyl N'-aminocarbamimidothioate
CID 107120195
3-(1-aminopropan-2-ylsulfanylmethyl)-2-fluorobenzonitrile
CID 107118287

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-[(2-hydroxyphenyl)sulfanylmethyl]benzonitrile?
The IUPAC name of 2-fluoro-3-[(2-hydroxyphenyl)sulfanylmethyl]benzonitrile (CID 113350332) is 2-fluoro-3-[(2-hydroxyphenyl)sulfanylmethyl]benzonitrile.
What is the SMILES notation for 2-fluoro-3-[(2-hydroxyphenyl)sulfanylmethyl]benzonitrile?
The canonical SMILES for 2-fluoro-3-[(2-hydroxyphenyl)sulfanylmethyl]benzonitrile is N#Cc1cccc(CSc2ccccc2O)c1F.
What is the InChIKey of 2-fluoro-3-[(2-hydroxyphenyl)sulfanylmethyl]benzonitrile?
The InChIKey is AJJCBELUDBVQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNOS/c15-14-10(8-16)4-3-5-11(14)9-18-13-7-2-1-6-12(13)17/h1-7,17H,9H2.
What are the key properties of 2-fluoro-3-[(2-hydroxyphenyl)sulfanylmethyl]benzonitrile?
2-fluoro-3-[(2-hydroxyphenyl)sulfanylmethyl]benzonitrile has a molecular weight of 259.31 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-[(2-hydroxyphenyl)sulfanylmethyl]benzonitrile is sourced from PubChem (CID 113350332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).