3-cyclobutyl-5-(difluoromethoxy)-1,3-dihydroindol-2-one

C13H13F2NO2 — CID 106987125

IUPAC3-cyclobutyl-5-(difluoromethoxy)-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(OC(F)F)cc2C1C1CCC1
InChIInChI=1S/C13H13F2NO2/c14-13(15)18-8-4-5-10-9(6-8)11(12(17)16-10)7-2-1-3-7/h4-7,11,13H,1-3H2,(H,16,17)
InChIKeyMJPMMUSZWARWDB-UHFFFAOYSA-N
MW253.25 g/mol
LogP3.12
Rot. Bonds3

About 3-cyclobutyl-5-(difluoromethoxy)-1,3-dihydroindol-2-one

3-cyclobutyl-5-(difluoromethoxy)-1,3-dihydroindol-2-one (PubChem CID 106987125) has the molecular formula C13H13F2NO2 and a molecular weight of 253.25 g/mol. Its IUPAC name is 3-cyclobutyl-5-(difluoromethoxy)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-cyclobutyl-5-(difluoromethoxy)-1,3-dihydroindol-2-one
PubChem CID106987125
Molecular FormulaC13H13F2NO2
Molecular Weight253.25 g/mol
Exact Mass253.09
IUPAC Name3-cyclobutyl-5-(difluoromethoxy)-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(OC(F)F)cc2C1C1CCC1
InChIInChI=1S/C13H13F2NO2/c14-13(15)18-8-4-5-10-9(6-8)11(12(17)16-10)7-2-1-3-7/h4-7,11,13H,1-3H2,(H,16,17)
InChIKeyMJPMMUSZWARWDB-UHFFFAOYSA-N
XLogP3.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(difluoromethoxy)-3-heptyl-1,3-dihydroindol-2-one
CID 106987093
3-(cyclobutylmethyl)-5-(difluoromethoxy)-2,3-dihydro-1H-indole
CID 106986354
6-bromo-3-cyclohexyl-1,3-dihydroindol-2-one
CID 83853500
5-(difluoromethoxy)spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 106702093
5-bromo-3-(4-tert-butylcyclohexyl)-1,3-dihydroindol-2-one
CID 106986932
tert-butyl N-[(3R)-6-(difluoromethoxy)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]carbamate
CID 178034413
5-[4-(difluoromethoxy)phenyl]-2-sulfanylideneimidazolidin-4-one
CID 82997067
5-(difluoromethoxy)spiro[1H-indole-3,4'-piperidine]-2-one
CID 168997020
3-cyclohexyl-5-(difluoromethoxy)-1H-indole
CID 106985011
(3aR,9bR)-8-(trifluoromethyl)-1,2,3,3a,5,9b-hexahydrocyclopenta[c]quinolin-4-one
CID 122387866
6-(difluoromethoxy)-1,2,3,4-tetrahydroquinoline
CID 16792853
5-(difluoromethoxy)-3-(2-methylpentyl)-2,3-dihydro-1H-indole
CID 106986180

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-5-(difluoromethoxy)-1,3-dihydroindol-2-one?
The IUPAC name of 3-cyclobutyl-5-(difluoromethoxy)-1,3-dihydroindol-2-one (CID 106987125) is 3-cyclobutyl-5-(difluoromethoxy)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-cyclobutyl-5-(difluoromethoxy)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-cyclobutyl-5-(difluoromethoxy)-1,3-dihydroindol-2-one is O=C1Nc2ccc(OC(F)F)cc2C1C1CCC1.
What is the InChIKey of 3-cyclobutyl-5-(difluoromethoxy)-1,3-dihydroindol-2-one?
The InChIKey is MJPMMUSZWARWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NO2/c14-13(15)18-8-4-5-10-9(6-8)11(12(17)16-10)7-2-1-3-7/h4-7,11,13H,1-3H2,(H,16,17).
What are the key properties of 3-cyclobutyl-5-(difluoromethoxy)-1,3-dihydroindol-2-one?
3-cyclobutyl-5-(difluoromethoxy)-1,3-dihydroindol-2-one has a molecular weight of 253.25 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-5-(difluoromethoxy)-1,3-dihydroindol-2-one is sourced from PubChem (CID 106987125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).