2-fluoro-6-(3-methylphenyl)sulfanylbenzonitrile

C14H10FNS — CID 10776622

IUPAC2-fluoro-6-(3-methylphenyl)sulfanylbenzonitrile
SMILESCc1cccc(Sc2cccc(F)c2C#N)c1
InChIInChI=1S/C14H10FNS/c1-10-4-2-5-11(8-10)17-14-7-3-6-13(15)12(14)9-16/h2-8H,1H3
InChIKeyHQBYHCSHPARRLY-UHFFFAOYSA-N
MW243.31 g/mol
LogP4.16
Rot. Bonds2

About 2-fluoro-6-(3-methylphenyl)sulfanylbenzonitrile

2-fluoro-6-(3-methylphenyl)sulfanylbenzonitrile (PubChem CID 10776622) has the molecular formula C14H10FNS and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-fluoro-6-(3-methylphenyl)sulfanylbenzonitrile.

Molecular Properties

Compound Name2-fluoro-6-(3-methylphenyl)sulfanylbenzonitrile
PubChem CID10776622
Molecular FormulaC14H10FNS
Molecular Weight243.31 g/mol
Exact Mass243.05
IUPAC Name2-fluoro-6-(3-methylphenyl)sulfanylbenzonitrile
SMILESCc1cccc(Sc2cccc(F)c2C#N)c1
InChIInChI=1S/C14H10FNS/c1-10-4-2-5-11(8-10)17-14-7-3-6-13(15)12(14)9-16/h2-8H,1H3
InChIKeyHQBYHCSHPARRLY-UHFFFAOYSA-N
XLogP4.16
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(3-methylphenyl)sulfanylbenzonitrile?
The IUPAC name of 2-fluoro-6-(3-methylphenyl)sulfanylbenzonitrile (CID 10776622) is 2-fluoro-6-(3-methylphenyl)sulfanylbenzonitrile.
What is the SMILES notation for 2-fluoro-6-(3-methylphenyl)sulfanylbenzonitrile?
The canonical SMILES for 2-fluoro-6-(3-methylphenyl)sulfanylbenzonitrile is Cc1cccc(Sc2cccc(F)c2C#N)c1.
What is the InChIKey of 2-fluoro-6-(3-methylphenyl)sulfanylbenzonitrile?
The InChIKey is HQBYHCSHPARRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNS/c1-10-4-2-5-11(8-10)17-14-7-3-6-13(15)12(14)9-16/h2-8H,1H3.
What are the key properties of 2-fluoro-6-(3-methylphenyl)sulfanylbenzonitrile?
2-fluoro-6-(3-methylphenyl)sulfanylbenzonitrile has a molecular weight of 243.31 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(3-methylphenyl)sulfanylbenzonitrile is sourced from PubChem (CID 10776622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).