3,3,5-trimethyl-6-[2-(trifluoromethoxy)phenyl]-1H-indol-2-one

C18H16F3NO2 — CID 141077826

IUPAC3,3,5-trimethyl-6-[2-(trifluoromethoxy)phenyl]-1H-indol-2-one
SMILESCc1cc2c(cc1-c1ccccc1OC(F)(F)F)NC(=O)C2(C)C
InChIInChI=1S/C18H16F3NO2/c1-10-8-13-14(22-16(23)17(13,2)3)9-12(10)11-6-4-5-7-15(11)24-18(19,20)21/h4-9H,1-3H3,(H,22,23)
InChIKeyNDNYAIYSZOCACJ-UHFFFAOYSA-N
MW335.33 g/mol
LogP4.79
Rot. Bonds2

About 3,3,5-trimethyl-6-[2-(trifluoromethoxy)phenyl]-1H-indol-2-one

3,3,5-trimethyl-6-[2-(trifluoromethoxy)phenyl]-1H-indol-2-one (PubChem CID 141077826) has the molecular formula C18H16F3NO2 and a molecular weight of 335.33 g/mol. Its IUPAC name is 3,3,5-trimethyl-6-[2-(trifluoromethoxy)phenyl]-1H-indol-2-one.

Molecular Properties

Compound Name3,3,5-trimethyl-6-[2-(trifluoromethoxy)phenyl]-1H-indol-2-one
PubChem CID141077826
Molecular FormulaC18H16F3NO2
Molecular Weight335.33 g/mol
Exact Mass335.11
IUPAC Name3,3,5-trimethyl-6-[2-(trifluoromethoxy)phenyl]-1H-indol-2-one
SMILESCc1cc2c(cc1-c1ccccc1OC(F)(F)F)NC(=O)C2(C)C
InChIInChI=1S/C18H16F3NO2/c1-10-8-13-14(22-16(23)17(13,2)3)9-12(10)11-6-4-5-7-15(11)24-18(19,20)21/h4-9H,1-3H3,(H,22,23)
InChIKeyNDNYAIYSZOCACJ-UHFFFAOYSA-N
XLogP4.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,5-trimethyl-6-[2-(trifluoromethoxy)phenyl]-1H-indol-2-one?
The IUPAC name of 3,3,5-trimethyl-6-[2-(trifluoromethoxy)phenyl]-1H-indol-2-one (CID 141077826) is 3,3,5-trimethyl-6-[2-(trifluoromethoxy)phenyl]-1H-indol-2-one.
What is the SMILES notation for 3,3,5-trimethyl-6-[2-(trifluoromethoxy)phenyl]-1H-indol-2-one?
The canonical SMILES for 3,3,5-trimethyl-6-[2-(trifluoromethoxy)phenyl]-1H-indol-2-one is Cc1cc2c(cc1-c1ccccc1OC(F)(F)F)NC(=O)C2(C)C.
What is the InChIKey of 3,3,5-trimethyl-6-[2-(trifluoromethoxy)phenyl]-1H-indol-2-one?
The InChIKey is NDNYAIYSZOCACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3NO2/c1-10-8-13-14(22-16(23)17(13,2)3)9-12(10)11-6-4-5-7-15(11)24-18(19,20)21/h4-9H,1-3H3,(H,22,23).
What are the key properties of 3,3,5-trimethyl-6-[2-(trifluoromethoxy)phenyl]-1H-indol-2-one?
3,3,5-trimethyl-6-[2-(trifluoromethoxy)phenyl]-1H-indol-2-one has a molecular weight of 335.33 g/mol, XLogP of 4.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5-trimethyl-6-[2-(trifluoromethoxy)phenyl]-1H-indol-2-one is sourced from PubChem (CID 141077826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).