3-methyl-3-[[5-(trifluoromethyl)furan-2-yl]methyl]-1H-indol-2-one

C15H12F3NO2 — CID 126474506

IUPAC3-methyl-3-[[5-(trifluoromethyl)furan-2-yl]methyl]-1H-indol-2-one
SMILESCC1(Cc2ccc(C(F)(F)F)o2)C(=O)Nc2ccccc21
InChIInChI=1S/C15H12F3NO2/c1-14(8-9-6-7-12(21-9)15(16,17)18)10-4-2-3-5-11(10)19-13(14)20/h2-7H,8H2,1H3,(H,19,20)
InChIKeyIMMMKASASPXGEB-UHFFFAOYSA-N
MW295.26 g/mol
LogP3.75
Rot. Bonds2

About 3-methyl-3-[[5-(trifluoromethyl)furan-2-yl]methyl]-1H-indol-2-one

3-methyl-3-[[5-(trifluoromethyl)furan-2-yl]methyl]-1H-indol-2-one (PubChem CID 126474506) has the molecular formula C15H12F3NO2 and a molecular weight of 295.26 g/mol. Its IUPAC name is 3-methyl-3-[[5-(trifluoromethyl)furan-2-yl]methyl]-1H-indol-2-one.

Molecular Properties

Compound Name3-methyl-3-[[5-(trifluoromethyl)furan-2-yl]methyl]-1H-indol-2-one
PubChem CID126474506
Molecular FormulaC15H12F3NO2
Molecular Weight295.26 g/mol
Exact Mass295.08
IUPAC Name3-methyl-3-[[5-(trifluoromethyl)furan-2-yl]methyl]-1H-indol-2-one
SMILESCC1(Cc2ccc(C(F)(F)F)o2)C(=O)Nc2ccccc21
InChIInChI=1S/C15H12F3NO2/c1-14(8-9-6-7-12(21-9)15(16,17)18)10-4-2-3-5-11(10)19-13(14)20/h2-7H,8H2,1H3,(H,19,20)
InChIKeyIMMMKASASPXGEB-UHFFFAOYSA-N
XLogP3.75
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[[5-(trifluoromethyl)furan-2-yl]methyl]-1H-indol-2-one?
The IUPAC name of 3-methyl-3-[[5-(trifluoromethyl)furan-2-yl]methyl]-1H-indol-2-one (CID 126474506) is 3-methyl-3-[[5-(trifluoromethyl)furan-2-yl]methyl]-1H-indol-2-one.
What is the SMILES notation for 3-methyl-3-[[5-(trifluoromethyl)furan-2-yl]methyl]-1H-indol-2-one?
The canonical SMILES for 3-methyl-3-[[5-(trifluoromethyl)furan-2-yl]methyl]-1H-indol-2-one is CC1(Cc2ccc(C(F)(F)F)o2)C(=O)Nc2ccccc21.
What is the InChIKey of 3-methyl-3-[[5-(trifluoromethyl)furan-2-yl]methyl]-1H-indol-2-one?
The InChIKey is IMMMKASASPXGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO2/c1-14(8-9-6-7-12(21-9)15(16,17)18)10-4-2-3-5-11(10)19-13(14)20/h2-7H,8H2,1H3,(H,19,20).
What are the key properties of 3-methyl-3-[[5-(trifluoromethyl)furan-2-yl]methyl]-1H-indol-2-one?
3-methyl-3-[[5-(trifluoromethyl)furan-2-yl]methyl]-1H-indol-2-one has a molecular weight of 295.26 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[[5-(trifluoromethyl)furan-2-yl]methyl]-1H-indol-2-one is sourced from PubChem (CID 126474506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).