3-cyclopropyl-5,7-difluoro-1,3-dihydroindol-2-one

C11H9F2NO — CID 106986568

IUPAC3-cyclopropyl-5,7-difluoro-1,3-dihydroindol-2-one
SMILESO=C1Nc2c(F)cc(F)cc2C1C1CC1
InChIInChI=1S/C11H9F2NO/c12-6-3-7-9(5-1-2-5)11(15)14-10(7)8(13)4-6/h3-5,9H,1-2H2,(H,14,15)
InChIKeyLWDUDJPXFZWMFW-UHFFFAOYSA-N
MW209.19 g/mol
LogP2.41
Rot. Bonds1

About 3-cyclopropyl-5,7-difluoro-1,3-dihydroindol-2-one

3-cyclopropyl-5,7-difluoro-1,3-dihydroindol-2-one (PubChem CID 106986568) has the molecular formula C11H9F2NO and a molecular weight of 209.19 g/mol. Its IUPAC name is 3-cyclopropyl-5,7-difluoro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-cyclopropyl-5,7-difluoro-1,3-dihydroindol-2-one
PubChem CID106986568
Molecular FormulaC11H9F2NO
Molecular Weight209.19 g/mol
Exact Mass209.07
IUPAC Name3-cyclopropyl-5,7-difluoro-1,3-dihydroindol-2-one
SMILESO=C1Nc2c(F)cc(F)cc2C1C1CC1
InChIInChI=1S/C11H9F2NO/c12-6-3-7-9(5-1-2-5)11(15)14-10(7)8(13)4-6/h3-5,9H,1-2H2,(H,14,15)
InChIKeyLWDUDJPXFZWMFW-UHFFFAOYSA-N
XLogP2.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.19
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5,7-difluoro-1,3-dihydroindol-2-one?
The IUPAC name of 3-cyclopropyl-5,7-difluoro-1,3-dihydroindol-2-one (CID 106986568) is 3-cyclopropyl-5,7-difluoro-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-cyclopropyl-5,7-difluoro-1,3-dihydroindol-2-one?
The canonical SMILES for 3-cyclopropyl-5,7-difluoro-1,3-dihydroindol-2-one is O=C1Nc2c(F)cc(F)cc2C1C1CC1.
What is the InChIKey of 3-cyclopropyl-5,7-difluoro-1,3-dihydroindol-2-one?
The InChIKey is LWDUDJPXFZWMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2NO/c12-6-3-7-9(5-1-2-5)11(15)14-10(7)8(13)4-6/h3-5,9H,1-2H2,(H,14,15).
What are the key properties of 3-cyclopropyl-5,7-difluoro-1,3-dihydroindol-2-one?
3-cyclopropyl-5,7-difluoro-1,3-dihydroindol-2-one has a molecular weight of 209.19 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5,7-difluoro-1,3-dihydroindol-2-one is sourced from PubChem (CID 106986568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).