5-(difluoromethoxy)spiro[1H-indole-3,1'-cyclopropane]-2-one

C11H9F2NO2 — CID 106702093

IUPAC5-(difluoromethoxy)spiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESO=C1Nc2ccc(OC(F)F)cc2C12CC2
InChIInChI=1S/C11H9F2NO2/c12-10(13)16-6-1-2-8-7(5-6)11(3-4-11)9(15)14-8/h1-2,5,10H,3-4H2,(H,14,15)
InChIKeyWQTUOWGFQKWHJF-UHFFFAOYSA-N
MW225.19 g/mol
LogP2.27
Rot. Bonds2

About 5-(difluoromethoxy)spiro[1H-indole-3,1'-cyclopropane]-2-one

5-(difluoromethoxy)spiro[1H-indole-3,1'-cyclopropane]-2-one (PubChem CID 106702093) has the molecular formula C11H9F2NO2 and a molecular weight of 225.19 g/mol. Its IUPAC name is 5-(difluoromethoxy)spiro[1H-indole-3,1'-cyclopropane]-2-one.

Molecular Properties

Compound Name5-(difluoromethoxy)spiro[1H-indole-3,1'-cyclopropane]-2-one
PubChem CID106702093
Molecular FormulaC11H9F2NO2
Molecular Weight225.19 g/mol
Exact Mass225.06
IUPAC Name5-(difluoromethoxy)spiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESO=C1Nc2ccc(OC(F)F)cc2C12CC2
InChIInChI=1S/C11H9F2NO2/c12-10(13)16-6-1-2-8-7(5-6)11(3-4-11)9(15)14-8/h1-2,5,10H,3-4H2,(H,14,15)
InChIKeyWQTUOWGFQKWHJF-UHFFFAOYSA-N
XLogP2.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.19
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)spiro[1H-indole-3,1'-cyclopropane]-2-one?
The IUPAC name of 5-(difluoromethoxy)spiro[1H-indole-3,1'-cyclopropane]-2-one (CID 106702093) is 5-(difluoromethoxy)spiro[1H-indole-3,1'-cyclopropane]-2-one.
What is the SMILES notation for 5-(difluoromethoxy)spiro[1H-indole-3,1'-cyclopropane]-2-one?
The canonical SMILES for 5-(difluoromethoxy)spiro[1H-indole-3,1'-cyclopropane]-2-one is O=C1Nc2ccc(OC(F)F)cc2C12CC2.
What is the InChIKey of 5-(difluoromethoxy)spiro[1H-indole-3,1'-cyclopropane]-2-one?
The InChIKey is WQTUOWGFQKWHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2NO2/c12-10(13)16-6-1-2-8-7(5-6)11(3-4-11)9(15)14-8/h1-2,5,10H,3-4H2,(H,14,15).
What are the key properties of 5-(difluoromethoxy)spiro[1H-indole-3,1'-cyclopropane]-2-one?
5-(difluoromethoxy)spiro[1H-indole-3,1'-cyclopropane]-2-one has a molecular weight of 225.19 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)spiro[1H-indole-3,1'-cyclopropane]-2-one is sourced from PubChem (CID 106702093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).