5-(difluoromethoxy)-3,3-dipropyl-1H-indol-2-one

C15H19F2NO2 — CID 106702025

IUPAC5-(difluoromethoxy)-3,3-dipropyl-1H-indol-2-one
SMILESCCCC1(CCC)C(=O)Nc2ccc(OC(F)F)cc21
InChIInChI=1S/C15H19F2NO2/c1-3-7-15(8-4-2)11-9-10(20-14(16)17)5-6-12(11)18-13(15)19/h5-6,9,14H,3-4,7-8H2,1-2H3,(H,18,19)
InChIKeyIFUMWAFSXQXOQB-UHFFFAOYSA-N
MW283.32 g/mol
LogP4.08
Rot. Bonds6

About 5-(difluoromethoxy)-3,3-dipropyl-1H-indol-2-one

5-(difluoromethoxy)-3,3-dipropyl-1H-indol-2-one (PubChem CID 106702025) has the molecular formula C15H19F2NO2 and a molecular weight of 283.32 g/mol. Its IUPAC name is 5-(difluoromethoxy)-3,3-dipropyl-1H-indol-2-one.

Molecular Properties

Compound Name5-(difluoromethoxy)-3,3-dipropyl-1H-indol-2-one
PubChem CID106702025
Molecular FormulaC15H19F2NO2
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name5-(difluoromethoxy)-3,3-dipropyl-1H-indol-2-one
SMILESCCCC1(CCC)C(=O)Nc2ccc(OC(F)F)cc21
InChIInChI=1S/C15H19F2NO2/c1-3-7-15(8-4-2)11-9-10(20-14(16)17)5-6-12(11)18-13(15)19/h5-6,9,14H,3-4,7-8H2,1-2H3,(H,18,19)
InChIKeyIFUMWAFSXQXOQB-UHFFFAOYSA-N
XLogP4.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-3,3-dipropyl-1H-indol-2-one?
The IUPAC name of 5-(difluoromethoxy)-3,3-dipropyl-1H-indol-2-one (CID 106702025) is 5-(difluoromethoxy)-3,3-dipropyl-1H-indol-2-one.
What is the SMILES notation for 5-(difluoromethoxy)-3,3-dipropyl-1H-indol-2-one?
The canonical SMILES for 5-(difluoromethoxy)-3,3-dipropyl-1H-indol-2-one is CCCC1(CCC)C(=O)Nc2ccc(OC(F)F)cc21.
What is the InChIKey of 5-(difluoromethoxy)-3,3-dipropyl-1H-indol-2-one?
The InChIKey is IFUMWAFSXQXOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO2/c1-3-7-15(8-4-2)11-9-10(20-14(16)17)5-6-12(11)18-13(15)19/h5-6,9,14H,3-4,7-8H2,1-2H3,(H,18,19).
What are the key properties of 5-(difluoromethoxy)-3,3-dipropyl-1H-indol-2-one?
5-(difluoromethoxy)-3,3-dipropyl-1H-indol-2-one has a molecular weight of 283.32 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-3,3-dipropyl-1H-indol-2-one is sourced from PubChem (CID 106702025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).