7'-(trifluoromethyl)spiro[1,3-dithiolane-2,3'-1H-indole]-2'-one

C11H8F3NOS2 — CID 2221771

IUPAC7'-(trifluoromethyl)spiro[1,3-dithiolane-2,3'-1H-indole]-2'-one
SMILESO=C1Nc2c(C(F)(F)F)cccc2C12SCCS2
InChIInChI=1S/C11H8F3NOS2/c12-11(13,14)7-3-1-2-6-8(7)15-9(16)10(6)17-4-5-18-10/h1-3H,4-5H2,(H,15,16)
InChIKeyYTGWZPCQQXILFZ-UHFFFAOYSA-N
MW291.32 g/mol
LogP3.29
Rot. Bonds

About 7'-(trifluoromethyl)spiro[1,3-dithiolane-2,3'-1H-indole]-2'-one

7'-(trifluoromethyl)spiro[1,3-dithiolane-2,3'-1H-indole]-2'-one (PubChem CID 2221771) has the molecular formula C11H8F3NOS2 and a molecular weight of 291.32 g/mol. Its IUPAC name is 7'-(trifluoromethyl)spiro[1,3-dithiolane-2,3'-1H-indole]-2'-one.

Molecular Properties

Compound Name7'-(trifluoromethyl)spiro[1,3-dithiolane-2,3'-1H-indole]-2'-one
PubChem CID2221771
Molecular FormulaC11H8F3NOS2
Molecular Weight291.32 g/mol
Exact Mass291.00
IUPAC Name7'-(trifluoromethyl)spiro[1,3-dithiolane-2,3'-1H-indole]-2'-one
SMILESO=C1Nc2c(C(F)(F)F)cccc2C12SCCS2
InChIInChI=1S/C11H8F3NOS2/c12-11(13,14)7-3-1-2-6-8(7)15-9(16)10(6)17-4-5-18-10/h1-3H,4-5H2,(H,15,16)
InChIKeyYTGWZPCQQXILFZ-UHFFFAOYSA-N
XLogP3.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7'-(trifluoromethyl)spiro[1,3-dithiolane-2,3'-1H-indole]-2'-one?
The IUPAC name of 7'-(trifluoromethyl)spiro[1,3-dithiolane-2,3'-1H-indole]-2'-one (CID 2221771) is 7'-(trifluoromethyl)spiro[1,3-dithiolane-2,3'-1H-indole]-2'-one.
What is the SMILES notation for 7'-(trifluoromethyl)spiro[1,3-dithiolane-2,3'-1H-indole]-2'-one?
The canonical SMILES for 7'-(trifluoromethyl)spiro[1,3-dithiolane-2,3'-1H-indole]-2'-one is O=C1Nc2c(C(F)(F)F)cccc2C12SCCS2.
What is the InChIKey of 7'-(trifluoromethyl)spiro[1,3-dithiolane-2,3'-1H-indole]-2'-one?
The InChIKey is YTGWZPCQQXILFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NOS2/c12-11(13,14)7-3-1-2-6-8(7)15-9(16)10(6)17-4-5-18-10/h1-3H,4-5H2,(H,15,16).
What are the key properties of 7'-(trifluoromethyl)spiro[1,3-dithiolane-2,3'-1H-indole]-2'-one?
7'-(trifluoromethyl)spiro[1,3-dithiolane-2,3'-1H-indole]-2'-one has a molecular weight of 291.32 g/mol, XLogP of 3.29, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-(trifluoromethyl)spiro[1,3-dithiolane-2,3'-1H-indole]-2'-one is sourced from PubChem (CID 2221771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).