2-fluoro-5-[(2-hydroxyphenyl)sulfanylmethyl]benzonitrile

C14H10FNOS — CID 103758898

IUPAC2-fluoro-5-[(2-hydroxyphenyl)sulfanylmethyl]benzonitrile
SMILESN#Cc1cc(CSc2ccccc2O)ccc1F
InChIInChI=1S/C14H10FNOS/c15-12-6-5-10(7-11(12)8-16)9-18-14-4-2-1-3-13(14)17/h1-7,17H,9H2
InChIKeyHWWXAXIFOVXUIG-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.70
Rot. Bonds3

About 2-fluoro-5-[(2-hydroxyphenyl)sulfanylmethyl]benzonitrile

2-fluoro-5-[(2-hydroxyphenyl)sulfanylmethyl]benzonitrile (PubChem CID 103758898) has the molecular formula C14H10FNOS and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-fluoro-5-[(2-hydroxyphenyl)sulfanylmethyl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-5-[(2-hydroxyphenyl)sulfanylmethyl]benzonitrile
PubChem CID103758898
Molecular FormulaC14H10FNOS
Molecular Weight259.31 g/mol
Exact Mass259.05
IUPAC Name2-fluoro-5-[(2-hydroxyphenyl)sulfanylmethyl]benzonitrile
SMILESN#Cc1cc(CSc2ccccc2O)ccc1F
InChIInChI=1S/C14H10FNOS/c15-12-6-5-10(7-11(12)8-16)9-18-14-4-2-1-3-13(14)17/h1-7,17H,9H2
InChIKeyHWWXAXIFOVXUIG-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

2-fluoro-5-[(2-fluorophenyl)sulfanylmethyl]benzonitrile
CID 103758746
2-fluoro-5-(phenylsulfanylmethyl)benzonitrile
CID 103758773
4-fluoro-2-[(2-hydroxyphenyl)sulfanylmethyl]benzonitrile
CID 64765962
5-[(2,5-dimethylphenyl)sulfanylmethyl]-2-fluorobenzonitrile
CID 107882341
4-[(2-hydroxyphenyl)sulfanylmethyl]benzonitrile
CID 19931724
2-fluoro-5-[[3-(hydroxymethyl)phenyl]sulfanylmethyl]benzonitrile
CID 107887986
2-fluoro-5-[[4-(1-hydroxyethyl)phenyl]sulfanylmethyl]benzonitrile
CID 107887977
2-fluoro-3-[(2-hydroxyphenyl)sulfanylmethyl]benzonitrile
CID 113350332
2-fluoro-5-(thiophen-2-ylsulfanylmethyl)benzonitrile
CID 103758883
5-[(5-amino-2-chlorophenyl)sulfanylmethyl]-2-fluorobenzonitrile
CID 107881834
5-[[3-(aminomethyl)phenyl]sulfanylmethyl]-2-fluorobenzonitrile
CID 107887946
5-(tert-butylsulfanylmethyl)-2-fluorobenzonitrile
CID 103758835

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[(2-hydroxyphenyl)sulfanylmethyl]benzonitrile?
The IUPAC name of 2-fluoro-5-[(2-hydroxyphenyl)sulfanylmethyl]benzonitrile (CID 103758898) is 2-fluoro-5-[(2-hydroxyphenyl)sulfanylmethyl]benzonitrile.
What is the SMILES notation for 2-fluoro-5-[(2-hydroxyphenyl)sulfanylmethyl]benzonitrile?
The canonical SMILES for 2-fluoro-5-[(2-hydroxyphenyl)sulfanylmethyl]benzonitrile is N#Cc1cc(CSc2ccccc2O)ccc1F.
What is the InChIKey of 2-fluoro-5-[(2-hydroxyphenyl)sulfanylmethyl]benzonitrile?
The InChIKey is HWWXAXIFOVXUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNOS/c15-12-6-5-10(7-11(12)8-16)9-18-14-4-2-1-3-13(14)17/h1-7,17H,9H2.
What are the key properties of 2-fluoro-5-[(2-hydroxyphenyl)sulfanylmethyl]benzonitrile?
2-fluoro-5-[(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-5-[(2-hydroxyphenyl)sulfanylmethyl]benzonitrile is sourced from PubChem (CID 103758898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).