2-[6-(2,4-difluorophenyl)naphthalen-2-yl]sulfanylbenzonitrile

C23H13F2NS — CID 68899157

IUPAC2-[6-(2,4-difluorophenyl)naphthalen-2-yl]sulfanylbenzonitrile
SMILESN#Cc1ccccc1Sc1ccc2cc(-c3ccc(F)cc3F)ccc2c1
InChIInChI=1S/C23H13F2NS/c24-19-8-10-21(22(25)13-19)17-6-5-16-12-20(9-7-15(16)11-17)27-23-4-2-1-3-18(23)14-26/h1-13H
InChIKeyVFIZOEQRUCRZNH-UHFFFAOYSA-N
MW373.43 g/mol
LogP6.81
Rot. Bonds3

About 2-[6-(2,4-difluorophenyl)naphthalen-2-yl]sulfanylbenzonitrile

2-[6-(2,4-difluorophenyl)naphthalen-2-yl]sulfanylbenzonitrile (PubChem CID 68899157) has the molecular formula C23H13F2NS and a molecular weight of 373.43 g/mol. Its IUPAC name is 2-[6-(2,4-difluorophenyl)naphthalen-2-yl]sulfanylbenzonitrile.

Molecular Properties

Compound Name2-[6-(2,4-difluorophenyl)naphthalen-2-yl]sulfanylbenzonitrile
PubChem CID68899157
Molecular FormulaC23H13F2NS
Molecular Weight373.43 g/mol
Exact Mass373.07
IUPAC Name2-[6-(2,4-difluorophenyl)naphthalen-2-yl]sulfanylbenzonitrile
SMILESN#Cc1ccccc1Sc1ccc2cc(-c3ccc(F)cc3F)ccc2c1
InChIInChI=1S/C23H13F2NS/c24-19-8-10-21(22(25)13-19)17-6-5-16-12-20(9-7-15(16)11-17)27-23-4-2-1-3-18(23)14-26/h1-13H
InChIKeyVFIZOEQRUCRZNH-UHFFFAOYSA-N
XLogP6.81
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.43
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(2,4-difluorophenyl)naphthalen-2-yl]sulfanylbenzonitrile?
The IUPAC name of 2-[6-(2,4-difluorophenyl)naphthalen-2-yl]sulfanylbenzonitrile (CID 68899157) is 2-[6-(2,4-difluorophenyl)naphthalen-2-yl]sulfanylbenzonitrile.
What is the SMILES notation for 2-[6-(2,4-difluorophenyl)naphthalen-2-yl]sulfanylbenzonitrile?
The canonical SMILES for 2-[6-(2,4-difluorophenyl)naphthalen-2-yl]sulfanylbenzonitrile is N#Cc1ccccc1Sc1ccc2cc(-c3ccc(F)cc3F)ccc2c1.
What is the InChIKey of 2-[6-(2,4-difluorophenyl)naphthalen-2-yl]sulfanylbenzonitrile?
The InChIKey is VFIZOEQRUCRZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13F2NS/c24-19-8-10-21(22(25)13-19)17-6-5-16-12-20(9-7-15(16)11-17)27-23-4-2-1-3-18(23)14-26/h1-13H.
What are the key properties of 2-[6-(2,4-difluorophenyl)naphthalen-2-yl]sulfanylbenzonitrile?
2-[6-(2,4-difluorophenyl)naphthalen-2-yl]sulfanylbenzonitrile has a molecular weight of 373.43 g/mol, XLogP of 6.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2,4-difluorophenyl)naphthalen-2-yl]sulfanylbenzonitrile is sourced from PubChem (CID 68899157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).