4-(2,3-difluorophenyl)-5-fluoro-1,3-dihydroindol-2-one

C14H8F3NO — CID 59250064

IUPAC4-(2,3-difluorophenyl)-5-fluoro-1,3-dihydroindol-2-one
SMILESO=C1Cc2c(ccc(F)c2-c2cccc(F)c2F)N1
InChIInChI=1S/C14H8F3NO/c15-9-4-5-11-8(6-12(19)18-11)13(9)7-2-1-3-10(16)14(7)17/h1-5H,6H2,(H,18,19)
InChIKeyOGAHXMQJDXNHQH-UHFFFAOYSA-N
MW263.22 g/mol
LogP3.27
Rot. Bonds1

About 4-(2,3-difluorophenyl)-5-fluoro-1,3-dihydroindol-2-one

4-(2,3-difluorophenyl)-5-fluoro-1,3-dihydroindol-2-one (PubChem CID 59250064) has the molecular formula C14H8F3NO and a molecular weight of 263.22 g/mol. Its IUPAC name is 4-(2,3-difluorophenyl)-5-fluoro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name4-(2,3-difluorophenyl)-5-fluoro-1,3-dihydroindol-2-one
PubChem CID59250064
Molecular FormulaC14H8F3NO
Molecular Weight263.22 g/mol
Exact Mass263.06
IUPAC Name4-(2,3-difluorophenyl)-5-fluoro-1,3-dihydroindol-2-one
SMILESO=C1Cc2c(ccc(F)c2-c2cccc(F)c2F)N1
InChIInChI=1S/C14H8F3NO/c15-9-4-5-11-8(6-12(19)18-11)13(9)7-2-1-3-10(16)14(7)17/h1-5H,6H2,(H,18,19)
InChIKeyOGAHXMQJDXNHQH-UHFFFAOYSA-N
XLogP3.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-difluorophenyl)-5-fluoro-1,3-dihydroindol-2-one?
The IUPAC name of 4-(2,3-difluorophenyl)-5-fluoro-1,3-dihydroindol-2-one (CID 59250064) is 4-(2,3-difluorophenyl)-5-fluoro-1,3-dihydroindol-2-one.
What is the SMILES notation for 4-(2,3-difluorophenyl)-5-fluoro-1,3-dihydroindol-2-one?
The canonical SMILES for 4-(2,3-difluorophenyl)-5-fluoro-1,3-dihydroindol-2-one is O=C1Cc2c(ccc(F)c2-c2cccc(F)c2F)N1.
What is the InChIKey of 4-(2,3-difluorophenyl)-5-fluoro-1,3-dihydroindol-2-one?
The InChIKey is OGAHXMQJDXNHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3NO/c15-9-4-5-11-8(6-12(19)18-11)13(9)7-2-1-3-10(16)14(7)17/h1-5H,6H2,(H,18,19).
What are the key properties of 4-(2,3-difluorophenyl)-5-fluoro-1,3-dihydroindol-2-one?
4-(2,3-difluorophenyl)-5-fluoro-1,3-dihydroindol-2-one has a molecular weight of 263.22 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-difluorophenyl)-5-fluoro-1,3-dihydroindol-2-one is sourced from PubChem (CID 59250064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).