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

C14H9F2NS — CID 103758746

IUPAC2-fluoro-5-[(2-fluorophenyl)sulfanylmethyl]benzonitrile
SMILESN#Cc1cc(CSc2ccccc2F)ccc1F
InChIInChI=1S/C14H9F2NS/c15-12-6-5-10(7-11(12)8-17)9-18-14-4-2-1-3-13(14)16/h1-7H,9H2
InChIKeyJRGFKBQGMURKFG-UHFFFAOYSA-N
MW261.30 g/mol
LogP4.13
Rot. Bonds3

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

2-fluoro-5-[(2-fluorophenyl)sulfanylmethyl]benzonitrile (PubChem CID 103758746) has the molecular formula C14H9F2NS and a molecular weight of 261.30 g/mol. Its IUPAC name is 2-fluoro-5-[(2-fluorophenyl)sulfanylmethyl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-5-[(2-fluorophenyl)sulfanylmethyl]benzonitrile
PubChem CID103758746
Molecular FormulaC14H9F2NS
Molecular Weight261.30 g/mol
Exact Mass261.04
IUPAC Name2-fluoro-5-[(2-fluorophenyl)sulfanylmethyl]benzonitrile
SMILESN#Cc1cc(CSc2ccccc2F)ccc1F
InChIInChI=1S/C14H9F2NS/c15-12-6-5-10(7-11(12)8-17)9-18-14-4-2-1-3-13(14)16/h1-7H,9H2
InChIKeyJRGFKBQGMURKFG-UHFFFAOYSA-N
XLogP4.13
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-5-[(2-hydroxyphenyl)sulfanylmethyl]benzonitrile
CID 103758898
2-fluoro-5-(phenylsulfanylmethyl)benzonitrile
CID 103758773
5-[(2,5-dimethylphenyl)sulfanylmethyl]-2-fluorobenzonitrile
CID 107882341
4-[(2-fluorophenyl)sulfanylmethyl]pyridine-2-carbonitrile
CID 63885602
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
2-fluoro-5-[[3-(hydroxymethyl)phenyl]sulfanylmethyl]benzonitrile
CID 107887986
2-fluoro-5-[[4-(1-hydroxyethyl)phenyl]sulfanylmethyl]benzonitrile
CID 107887977
5-(tert-butylsulfanylmethyl)-2-fluorobenzonitrile
CID 103758835
2-fluoro-5-(1,3-thiazol-2-ylsulfanylmethyl)benzonitrile
CID 103758889
2-fluoro-5-[(6-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]benzonitrile
CID 114012409

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[(2-fluorophenyl)sulfanylmethyl]benzonitrile?
The IUPAC name of 2-fluoro-5-[(2-fluorophenyl)sulfanylmethyl]benzonitrile (CID 103758746) is 2-fluoro-5-[(2-fluorophenyl)sulfanylmethyl]benzonitrile.
What is the SMILES notation for 2-fluoro-5-[(2-fluorophenyl)sulfanylmethyl]benzonitrile?
The canonical SMILES for 2-fluoro-5-[(2-fluorophenyl)sulfanylmethyl]benzonitrile is N#Cc1cc(CSc2ccccc2F)ccc1F.
What is the InChIKey of 2-fluoro-5-[(2-fluorophenyl)sulfanylmethyl]benzonitrile?
The InChIKey is JRGFKBQGMURKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2NS/c15-12-6-5-10(7-11(12)8-17)9-18-14-4-2-1-3-13(14)16/h1-7H,9H2.
What are the key properties of 2-fluoro-5-[(2-fluorophenyl)sulfanylmethyl]benzonitrile?
2-fluoro-5-[(2-fluorophenyl)sulfanylmethyl]benzonitrile has a molecular weight of 261.30 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[(2-fluorophenyl)sulfanylmethyl]benzonitrile is sourced from PubChem (CID 103758746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).