6-(2-fluorophenyl)-1-methyl-7-methylsulfanylnaphthalene

C18H15FS — CID 130214196

IUPAC6-(2-fluorophenyl)-1-methyl-7-methylsulfanylnaphthalene
SMILESCSc1cc2c(C)cccc2cc1-c1ccccc1F
InChIInChI=1S/C18H15FS/c1-12-6-5-7-13-10-16(18(20-2)11-15(12)13)14-8-3-4-9-17(14)19/h3-11H,1-2H3
InChIKeyHFJQGGUCEBZWEC-UHFFFAOYSA-N
MW282.38 g/mol
LogP5.68
Rot. Bonds2

About 6-(2-fluorophenyl)-1-methyl-7-methylsulfanylnaphthalene

6-(2-fluorophenyl)-1-methyl-7-methylsulfanylnaphthalene (PubChem CID 130214196) has the molecular formula C18H15FS and a molecular weight of 282.38 g/mol. Its IUPAC name is 6-(2-fluorophenyl)-1-methyl-7-methylsulfanylnaphthalene.

Molecular Properties

Compound Name6-(2-fluorophenyl)-1-methyl-7-methylsulfanylnaphthalene
PubChem CID130214196
Molecular FormulaC18H15FS
Molecular Weight282.38 g/mol
Exact Mass282.09
IUPAC Name6-(2-fluorophenyl)-1-methyl-7-methylsulfanylnaphthalene
SMILESCSc1cc2c(C)cccc2cc1-c1ccccc1F
InChIInChI=1S/C18H15FS/c1-12-6-5-7-13-10-16(18(20-2)11-15(12)13)14-8-3-4-9-17(14)19/h3-11H,1-2H3
InChIKeyHFJQGGUCEBZWEC-UHFFFAOYSA-N
XLogP5.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.38
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenyl)-1-methyl-7-methylsulfanylnaphthalene?
The IUPAC name of 6-(2-fluorophenyl)-1-methyl-7-methylsulfanylnaphthalene (CID 130214196) is 6-(2-fluorophenyl)-1-methyl-7-methylsulfanylnaphthalene.
What is the SMILES notation for 6-(2-fluorophenyl)-1-methyl-7-methylsulfanylnaphthalene?
The canonical SMILES for 6-(2-fluorophenyl)-1-methyl-7-methylsulfanylnaphthalene is CSc1cc2c(C)cccc2cc1-c1ccccc1F.
What is the InChIKey of 6-(2-fluorophenyl)-1-methyl-7-methylsulfanylnaphthalene?
The InChIKey is HFJQGGUCEBZWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FS/c1-12-6-5-7-13-10-16(18(20-2)11-15(12)13)14-8-3-4-9-17(14)19/h3-11H,1-2H3.
What are the key properties of 6-(2-fluorophenyl)-1-methyl-7-methylsulfanylnaphthalene?
6-(2-fluorophenyl)-1-methyl-7-methylsulfanylnaphthalene has a molecular weight of 282.38 g/mol, XLogP of 5.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenyl)-1-methyl-7-methylsulfanylnaphthalene is sourced from PubChem (CID 130214196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).