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

C14H10FNOS — CID 64765962

IUPAC4-fluoro-2-[(2-hydroxyphenyl)sulfanylmethyl]benzonitrile
SMILESN#Cc1ccc(F)cc1CSc1ccccc1O
InChIInChI=1S/C14H10FNOS/c15-12-6-5-10(8-16)11(7-12)9-18-14-4-2-1-3-13(14)17/h1-7,17H,9H2
InChIKeyCJZAOYVTGWKYHR-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.70
Rot. Bonds3

About 4-fluoro-2-[(2-hydroxyphenyl)sulfanylmethyl]benzonitrile

4-fluoro-2-[(2-hydroxyphenyl)sulfanylmethyl]benzonitrile (PubChem CID 64765962) has the molecular formula C14H10FNOS and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-fluoro-2-[(2-hydroxyphenyl)sulfanylmethyl]benzonitrile.

Molecular Properties

Compound Name4-fluoro-2-[(2-hydroxyphenyl)sulfanylmethyl]benzonitrile
PubChem CID64765962
Molecular FormulaC14H10FNOS
Molecular Weight259.31 g/mol
Exact Mass259.05
IUPAC Name4-fluoro-2-[(2-hydroxyphenyl)sulfanylmethyl]benzonitrile
SMILESN#Cc1ccc(F)cc1CSc1ccccc1O
InChIInChI=1S/C14H10FNOS/c15-12-6-5-10(8-16)11(7-12)9-18-14-4-2-1-3-13(14)17/h1-7,17H,9H2
InChIKeyCJZAOYVTGWKYHR-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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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(2-hydroxyphenyl)sulfanylmethyl]benzonitrile?
The IUPAC name of 4-fluoro-2-[(2-hydroxyphenyl)sulfanylmethyl]benzonitrile (CID 64765962) is 4-fluoro-2-[(2-hydroxyphenyl)sulfanylmethyl]benzonitrile.
What is the SMILES notation for 4-fluoro-2-[(2-hydroxyphenyl)sulfanylmethyl]benzonitrile?
The canonical SMILES for 4-fluoro-2-[(2-hydroxyphenyl)sulfanylmethyl]benzonitrile is N#Cc1ccc(F)cc1CSc1ccccc1O.
What is the InChIKey of 4-fluoro-2-[(2-hydroxyphenyl)sulfanylmethyl]benzonitrile?
The InChIKey is CJZAOYVTGWKYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNOS/c15-12-6-5-10(8-16)11(7-12)9-18-14-4-2-1-3-13(14)17/h1-7,17H,9H2.
What are the key properties of 4-fluoro-2-[(2-hydroxyphenyl)sulfanylmethyl]benzonitrile?
4-fluoro-2-[(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 4-fluoro-2-[(2-hydroxyphenyl)sulfanylmethyl]benzonitrile is sourced from PubChem (CID 64765962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).