6-fluoro-3-(6-fluoro-1-methylindol-3-yl)sulfanyl-1-methylindole

C18H14F2N2S — CID 138983612

IUPAC6-fluoro-3-(6-fluoro-1-methylindol-3-yl)sulfanyl-1-methylindole
SMILESCn1cc(Sc2cn(C)c3cc(F)ccc23)c2ccc(F)cc21
InChIInChI=1S/C18H14F2N2S/c1-21-9-17(13-5-3-11(19)7-15(13)21)23-18-10-22(2)16-8-12(20)4-6-14(16)18/h3-10H,1-2H3
InChIKeyABXYCANKBHSLRZ-UHFFFAOYSA-N
MW328.39 g/mol
LogP5.10
Rot. Bonds2

About 6-fluoro-3-(6-fluoro-1-methylindol-3-yl)sulfanyl-1-methylindole

6-fluoro-3-(6-fluoro-1-methylindol-3-yl)sulfanyl-1-methylindole (PubChem CID 138983612) has the molecular formula C18H14F2N2S and a molecular weight of 328.39 g/mol. Its IUPAC name is 6-fluoro-3-(6-fluoro-1-methylindol-3-yl)sulfanyl-1-methylindole.

Molecular Properties

Compound Name6-fluoro-3-(6-fluoro-1-methylindol-3-yl)sulfanyl-1-methylindole
PubChem CID138983612
Molecular FormulaC18H14F2N2S
Molecular Weight328.39 g/mol
Exact Mass328.08
IUPAC Name6-fluoro-3-(6-fluoro-1-methylindol-3-yl)sulfanyl-1-methylindole
SMILESCn1cc(Sc2cn(C)c3cc(F)ccc23)c2ccc(F)cc21
InChIInChI=1S/C18H14F2N2S/c1-21-9-17(13-5-3-11(19)7-15(13)21)23-18-10-22(2)16-8-12(20)4-6-14(16)18/h3-10H,1-2H3
InChIKeyABXYCANKBHSLRZ-UHFFFAOYSA-N
XLogP5.10
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.39
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-(6-fluoro-1-methylindol-3-yl)sulfanyl-1-methylindole?
The IUPAC name of 6-fluoro-3-(6-fluoro-1-methylindol-3-yl)sulfanyl-1-methylindole (CID 138983612) is 6-fluoro-3-(6-fluoro-1-methylindol-3-yl)sulfanyl-1-methylindole.
What is the SMILES notation for 6-fluoro-3-(6-fluoro-1-methylindol-3-yl)sulfanyl-1-methylindole?
The canonical SMILES for 6-fluoro-3-(6-fluoro-1-methylindol-3-yl)sulfanyl-1-methylindole is Cn1cc(Sc2cn(C)c3cc(F)ccc23)c2ccc(F)cc21.
What is the InChIKey of 6-fluoro-3-(6-fluoro-1-methylindol-3-yl)sulfanyl-1-methylindole?
The InChIKey is ABXYCANKBHSLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2S/c1-21-9-17(13-5-3-11(19)7-15(13)21)23-18-10-22(2)16-8-12(20)4-6-14(16)18/h3-10H,1-2H3.
What are the key properties of 6-fluoro-3-(6-fluoro-1-methylindol-3-yl)sulfanyl-1-methylindole?
6-fluoro-3-(6-fluoro-1-methylindol-3-yl)sulfanyl-1-methylindole has a molecular weight of 328.39 g/mol, XLogP of 5.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-(6-fluoro-1-methylindol-3-yl)sulfanyl-1-methylindole is sourced from PubChem (CID 138983612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).