4,7-difluoro-2,3-dihydroisoindol-1-one

C8H5F2NO — CID 22064630

IUPAC4,7-difluoro-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2c(F)ccc(F)c21
InChIInChI=1S/C8H5F2NO/c9-5-1-2-6(10)7-4(5)3-11-8(7)12/h1-2H,3H2,(H,11,12)
InChIKeyFBIRCWQFZUEINW-UHFFFAOYSA-N
MW169.13 g/mol
LogP1.21
Rot. Bonds

About 4,7-difluoro-2,3-dihydroisoindol-1-one

4,7-difluoro-2,3-dihydroisoindol-1-one (PubChem CID 22064630) has the molecular formula C8H5F2NO and a molecular weight of 169.13 g/mol. Its IUPAC name is 4,7-difluoro-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name4,7-difluoro-2,3-dihydroisoindol-1-one
PubChem CID22064630
Molecular FormulaC8H5F2NO
Molecular Weight169.13 g/mol
Exact Mass169.03
IUPAC Name4,7-difluoro-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2c(F)ccc(F)c21
InChIInChI=1S/C8H5F2NO/c9-5-1-2-6(10)7-4(5)3-11-8(7)12/h1-2H,3H2,(H,11,12)
InChIKeyFBIRCWQFZUEINW-UHFFFAOYSA-N
XLogP1.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.13
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Phthalimide
CID 6809
N-Methylphthalimide
CID 11074
Phthalimidine
CID 10199
Amylase
CID 71475145
N-Butylphthalimide
CID 73812
N-Ethylphthalimide
CID 21120
N-(2-Methylallyl)-phthalimide
CID 231838
1-(2,6-Difluorobenzoyl)pyrrolidine
CID 588246
2-Benzylisoindolin-1-one
CID 1485883
N-Propylphthalimide
CID 79215
Phthalimide, N-(3-methyl-2-butenyl)-
CID 96648
2-Methyl-2,3-dihydro-1H-isoindol-1-one
CID 220657

Frequently Asked Questions

What is the IUPAC name of 4,7-difluoro-2,3-dihydroisoindol-1-one?
The IUPAC name of 4,7-difluoro-2,3-dihydroisoindol-1-one (CID 22064630) is 4,7-difluoro-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 4,7-difluoro-2,3-dihydroisoindol-1-one?
The canonical SMILES for 4,7-difluoro-2,3-dihydroisoindol-1-one is O=C1NCc2c(F)ccc(F)c21.
What is the InChIKey of 4,7-difluoro-2,3-dihydroisoindol-1-one?
The InChIKey is FBIRCWQFZUEINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F2NO/c9-5-1-2-6(10)7-4(5)3-11-8(7)12/h1-2H,3H2,(H,11,12).
What are the key properties of 4,7-difluoro-2,3-dihydroisoindol-1-one?
4,7-difluoro-2,3-dihydroisoindol-1-one has a molecular weight of 169.13 g/mol, XLogP of 1.21, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-difluoro-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 22064630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).