7-fluoro-5-methyl-2,3-dihydroisoindol-1-one

C9H8FNO — CID 89086082

IUPAC7-fluoro-5-methyl-2,3-dihydroisoindol-1-one
SMILESCc1cc(F)c2c(c1)CNC2=O
InChIInChI=1S/C9H8FNO/c1-5-2-6-4-11-9(12)8(6)7(10)3-5/h2-3H,4H2,1H3,(H,11,12)
InChIKeyWNAVZOLUXZKXIY-UHFFFAOYSA-N
MW165.17 g/mol
LogP1.38
Rot. Bonds

About 7-fluoro-5-methyl-2,3-dihydroisoindol-1-one

7-fluoro-5-methyl-2,3-dihydroisoindol-1-one (PubChem CID 89086082) has the molecular formula C9H8FNO and a molecular weight of 165.17 g/mol. Its IUPAC name is 7-fluoro-5-methyl-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name7-fluoro-5-methyl-2,3-dihydroisoindol-1-one
PubChem CID89086082
Molecular FormulaC9H8FNO
Molecular Weight165.17 g/mol
Exact Mass165.06
IUPAC Name7-fluoro-5-methyl-2,3-dihydroisoindol-1-one
SMILESCc1cc(F)c2c(c1)CNC2=O
InChIInChI=1S/C9H8FNO/c1-5-2-6-4-11-9(12)8(6)7(10)3-5/h2-3H,4H2,1H3,(H,11,12)
InChIKeyWNAVZOLUXZKXIY-UHFFFAOYSA-N
XLogP1.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.17
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5-methyl-2,3-dihydroisoindol-1-one?
The IUPAC name of 7-fluoro-5-methyl-2,3-dihydroisoindol-1-one (CID 89086082) is 7-fluoro-5-methyl-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 7-fluoro-5-methyl-2,3-dihydroisoindol-1-one?
The canonical SMILES for 7-fluoro-5-methyl-2,3-dihydroisoindol-1-one is Cc1cc(F)c2c(c1)CNC2=O.
What is the InChIKey of 7-fluoro-5-methyl-2,3-dihydroisoindol-1-one?
The InChIKey is WNAVZOLUXZKXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO/c1-5-2-6-4-11-9(12)8(6)7(10)3-5/h2-3H,4H2,1H3,(H,11,12).
What are the key properties of 7-fluoro-5-methyl-2,3-dihydroisoindol-1-one?
7-fluoro-5-methyl-2,3-dihydroisoindol-1-one has a molecular weight of 165.17 g/mol, XLogP of 1.38, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-methyl-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 89086082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).