3-(2-methylpentan-3-yl)-5-(trifluoromethyl)-1,3-dihydroindol-2-one

C15H18F3NO — CID 106986831

IUPAC3-(2-methylpentan-3-yl)-5-(trifluoromethyl)-1,3-dihydroindol-2-one
SMILESCCC(C(C)C)C1C(=O)Nc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C15H18F3NO/c1-4-10(8(2)3)13-11-7-9(15(16,17)18)5-6-12(11)19-14(13)20/h5-8,10,13H,4H2,1-3H3,(H,19,20)
InChIKeyYZKQGKBBVUHZIJ-UHFFFAOYSA-N
MW285.31 g/mol
LogP4.42
Rot. Bonds3

About 3-(2-methylpentan-3-yl)-5-(trifluoromethyl)-1,3-dihydroindol-2-one

3-(2-methylpentan-3-yl)-5-(trifluoromethyl)-1,3-dihydroindol-2-one (PubChem CID 106986831) has the molecular formula C15H18F3NO and a molecular weight of 285.31 g/mol. Its IUPAC name is 3-(2-methylpentan-3-yl)-5-(trifluoromethyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(2-methylpentan-3-yl)-5-(trifluoromethyl)-1,3-dihydroindol-2-one
PubChem CID106986831
Molecular FormulaC15H18F3NO
Molecular Weight285.31 g/mol
Exact Mass285.13
IUPAC Name3-(2-methylpentan-3-yl)-5-(trifluoromethyl)-1,3-dihydroindol-2-one
SMILESCCC(C(C)C)C1C(=O)Nc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C15H18F3NO/c1-4-10(8(2)3)13-11-7-9(15(16,17)18)5-6-12(11)19-14(13)20/h5-8,10,13H,4H2,1-3H3,(H,19,20)
InChIKeyYZKQGKBBVUHZIJ-UHFFFAOYSA-N
XLogP4.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpentan-3-yl)-5-(trifluoromethyl)-1,3-dihydroindol-2-one?
The IUPAC name of 3-(2-methylpentan-3-yl)-5-(trifluoromethyl)-1,3-dihydroindol-2-one (CID 106986831) is 3-(2-methylpentan-3-yl)-5-(trifluoromethyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(2-methylpentan-3-yl)-5-(trifluoromethyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(2-methylpentan-3-yl)-5-(trifluoromethyl)-1,3-dihydroindol-2-one is CCC(C(C)C)C1C(=O)Nc2ccc(C(F)(F)F)cc21.
What is the InChIKey of 3-(2-methylpentan-3-yl)-5-(trifluoromethyl)-1,3-dihydroindol-2-one?
The InChIKey is YZKQGKBBVUHZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO/c1-4-10(8(2)3)13-11-7-9(15(16,17)18)5-6-12(11)19-14(13)20/h5-8,10,13H,4H2,1-3H3,(H,19,20).
What are the key properties of 3-(2-methylpentan-3-yl)-5-(trifluoromethyl)-1,3-dihydroindol-2-one?
3-(2-methylpentan-3-yl)-5-(trifluoromethyl)-1,3-dihydroindol-2-one has a molecular weight of 285.31 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpentan-3-yl)-5-(trifluoromethyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 106986831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).