2-(2,2-difluoroethyl)-6,7-dihydro-5H-isoindol-4-one

C10H11F2NO — CID 83208218

IUPAC2-(2,2-difluoroethyl)-6,7-dihydro-5H-isoindol-4-one
SMILESO=C1CCCc2cn(CC(F)F)cc21
InChIInChI=1S/C10H11F2NO/c11-10(12)6-13-4-7-2-1-3-9(14)8(7)5-13/h4-5,10H,1-3,6H2
InChIKeyDGGCRHPHDHDYFQ-UHFFFAOYSA-N
MW199.20 g/mol
LogP2.27
Rot. Bonds2

About 2-(2,2-difluoroethyl)-6,7-dihydro-5H-isoindol-4-one

2-(2,2-difluoroethyl)-6,7-dihydro-5H-isoindol-4-one (PubChem CID 83208218) has the molecular formula C10H11F2NO and a molecular weight of 199.20 g/mol. Its IUPAC name is 2-(2,2-difluoroethyl)-6,7-dihydro-5H-isoindol-4-one.

Molecular Properties

Compound Name2-(2,2-difluoroethyl)-6,7-dihydro-5H-isoindol-4-one
PubChem CID83208218
Molecular FormulaC10H11F2NO
Molecular Weight199.20 g/mol
Exact Mass199.08
IUPAC Name2-(2,2-difluoroethyl)-6,7-dihydro-5H-isoindol-4-one
SMILESO=C1CCCc2cn(CC(F)F)cc21
InChIInChI=1S/C10H11F2NO/c11-10(12)6-13-4-7-2-1-3-9(14)8(7)5-13/h4-5,10H,1-3,6H2
InChIKeyDGGCRHPHDHDYFQ-UHFFFAOYSA-N
XLogP2.27
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.20
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethyl)-6,7-dihydro-5H-isoindol-4-one?
The IUPAC name of 2-(2,2-difluoroethyl)-6,7-dihydro-5H-isoindol-4-one (CID 83208218) is 2-(2,2-difluoroethyl)-6,7-dihydro-5H-isoindol-4-one.
What is the SMILES notation for 2-(2,2-difluoroethyl)-6,7-dihydro-5H-isoindol-4-one?
The canonical SMILES for 2-(2,2-difluoroethyl)-6,7-dihydro-5H-isoindol-4-one is O=C1CCCc2cn(CC(F)F)cc21.
What is the InChIKey of 2-(2,2-difluoroethyl)-6,7-dihydro-5H-isoindol-4-one?
The InChIKey is DGGCRHPHDHDYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO/c11-10(12)6-13-4-7-2-1-3-9(14)8(7)5-13/h4-5,10H,1-3,6H2.
What are the key properties of 2-(2,2-difluoroethyl)-6,7-dihydro-5H-isoindol-4-one?
2-(2,2-difluoroethyl)-6,7-dihydro-5H-isoindol-4-one has a molecular weight of 199.20 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethyl)-6,7-dihydro-5H-isoindol-4-one is sourced from PubChem (CID 83208218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).