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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Related Compounds

5-(difluoromethoxy)spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 106702093
5-(difluoromethoxy)spiro[1H-indole-3,4'-piperidine]-2-one
CID 168997020
5-(difluoromethoxy)-3-heptyl-1,3-dihydroindol-2-one
CID 106987093
(3-aminoazetidin-1-yl)-(4-butoxy-2-fluorophenyl)methanone;5-chloro-3,3-dipropyl-1H-indol-2-one
CID 168998287
5-chloro-3-pentyl-3-propyl-1H-indol-2-one;ethane;1-(1-methylcyclopropyl)-4-propoxybenzene
CID 168997231
3-[4-(difluoromethoxy)-2-ethylphenyl]propanenitrile
CID 118818436
2,7-bis(difluoromethoxy)naphthalene
CID 119024038
5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methyl-3-pentylimidazolidine-2,4-dione
CID 112828042
2-[4-(difluoromethoxy)phenyl]acetic acid
CID 2774127
ethyl 2-oxo-5-(trifluoromethoxy)spiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate
CID 71200919
2'-methyl-5-(trifluoromethoxy)spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 106702102
3-[4-(difluoromethoxy)-2-ethoxyphenyl]propanal
CID 118834404

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).