6-fluoro-2,3-dihydroisoindol-1-one

C8H6FNO — CID 19788105

IUPAC6-fluoro-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2ccc(F)cc21
InChIInChI=1S/C8H6FNO/c9-6-2-1-5-4-10-8(11)7(5)3-6/h1-3H,4H2,(H,10,11)
InChIKeyTWGFYAUQRMVTSI-UHFFFAOYSA-N
MW151.14 g/mol
LogP1.07
Rot. Bonds

About 6-fluoro-2,3-dihydroisoindol-1-one

6-fluoro-2,3-dihydroisoindol-1-one (PubChem CID 19788105) has the molecular formula C8H6FNO and a molecular weight of 151.14 g/mol. Its IUPAC name is 6-fluoro-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name6-fluoro-2,3-dihydroisoindol-1-one
PubChem CID19788105
Molecular FormulaC8H6FNO
Molecular Weight151.14 g/mol
Exact Mass151.04
IUPAC Name6-fluoro-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2ccc(F)cc21
InChIInChI=1S/C8H6FNO/c9-6-2-1-5-4-10-8(11)7(5)3-6/h1-3H,4H2,(H,10,11)
InChIKeyTWGFYAUQRMVTSI-UHFFFAOYSA-N
XLogP1.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.14
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 6809
N-Methylphthalimide
CID 11074
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Amylase
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Isopropylphthalimide
CID 67535
N-(hydroxymethyl)phthalimide
CID 8354
N-Butylphthalimide
CID 73812
Chloromethylphthalimide
CID 87154
N-Ethylphthalimide
CID 21120
N-(2-Methylallyl)-phthalimide
CID 231838
N-Cyclohexylphthalimide
CID 225739
Phthalimidoacetone
CID 235046

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2,3-dihydroisoindol-1-one?
The IUPAC name of 6-fluoro-2,3-dihydroisoindol-1-one (CID 19788105) is 6-fluoro-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 6-fluoro-2,3-dihydroisoindol-1-one?
The canonical SMILES for 6-fluoro-2,3-dihydroisoindol-1-one is O=C1NCc2ccc(F)cc21.
What is the InChIKey of 6-fluoro-2,3-dihydroisoindol-1-one?
The InChIKey is TWGFYAUQRMVTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FNO/c9-6-2-1-5-4-10-8(11)7(5)3-6/h1-3H,4H2,(H,10,11).
What are the key properties of 6-fluoro-2,3-dihydroisoindol-1-one?
6-fluoro-2,3-dihydroisoindol-1-one has a molecular weight of 151.14 g/mol, XLogP of 1.07, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 19788105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).