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

C9H8FNO2 — CID 130064686

IUPAC4-fluoro-6-methoxy-2,3-dihydroisoindol-1-one
SMILESCOc1cc(F)c2c(c1)C(=O)NC2
InChIInChI=1S/C9H8FNO2/c1-13-5-2-6-7(8(10)3-5)4-11-9(6)12/h2-3H,4H2,1H3,(H,11,12)
InChIKeyHHZMEXVFBWPNQJ-UHFFFAOYSA-N
MW181.17 g/mol
LogP1.08
Rot. Bonds1

About 4-fluoro-6-methoxy-2,3-dihydroisoindol-1-one

4-fluoro-6-methoxy-2,3-dihydroisoindol-1-one (PubChem CID 130064686) has the molecular formula C9H8FNO2 and a molecular weight of 181.17 g/mol. Its IUPAC name is 4-fluoro-6-methoxy-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name4-fluoro-6-methoxy-2,3-dihydroisoindol-1-one
PubChem CID130064686
Molecular FormulaC9H8FNO2
Molecular Weight181.17 g/mol
Exact Mass181.05
IUPAC Name4-fluoro-6-methoxy-2,3-dihydroisoindol-1-one
SMILESCOc1cc(F)c2c(c1)C(=O)NC2
InChIInChI=1S/C9H8FNO2/c1-13-5-2-6-7(8(10)3-5)4-11-9(6)12/h2-3H,4H2,1H3,(H,11,12)
InChIKeyHHZMEXVFBWPNQJ-UHFFFAOYSA-N
XLogP1.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.17
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-4-fluoro-2,3-dihydroisoindol-1-one
CID 130064719
6-ethynyl-4-fluoro-2,3-dihydroisoindol-1-one
CID 178067212
6-azido-4-fluoro-2,3-dihydroisoindol-1-one
CID 169326285
methyl 7-methoxy-1-oxo-3,4-dihydro-2H-isoquinoline-5-carboxylate
CID 66973477
4-(5-fluoro-2-methoxy-4-pyridinyl)-2,3-dihydroisoindol-1-one
CID 175996521
4-fluoro-6-methoxyspiro[2-benzofuran-3,4'-piperidine]-1-one
CID 138594881
5,7-dimethoxy-1,2-dihydroindol-3-one
CID 96623944
6-[[ethyl(2-methylpropyl)amino]methyl]-4-fluoro-2,3-dihydroisoindol-1-one
CID 171515369
4-methoxy-5-nitro-2,3-dihydroisoindol-1-one
CID 150023508
5-(7-fluoro-3-oxo-1,2-dihydroisoindol-5-yl)furan-2-carbaldehyde
CID 169335304
6-fluoro-5-propan-2-yl-2,3-dihydroisoindol-1-one
CID 153301418
6-chloro-5-fluoro-2,3-dihydroisoindol-1-one
CID 130064721

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-methoxy-2,3-dihydroisoindol-1-one?
The IUPAC name of 4-fluoro-6-methoxy-2,3-dihydroisoindol-1-one (CID 130064686) is 4-fluoro-6-methoxy-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 4-fluoro-6-methoxy-2,3-dihydroisoindol-1-one?
The canonical SMILES for 4-fluoro-6-methoxy-2,3-dihydroisoindol-1-one is COc1cc(F)c2c(c1)C(=O)NC2.
What is the InChIKey of 4-fluoro-6-methoxy-2,3-dihydroisoindol-1-one?
The InChIKey is HHZMEXVFBWPNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO2/c1-13-5-2-6-7(8(10)3-5)4-11-9(6)12/h2-3H,4H2,1H3,(H,11,12).
What are the key properties of 4-fluoro-6-methoxy-2,3-dihydroisoindol-1-one?
4-fluoro-6-methoxy-2,3-dihydroisoindol-1-one has a molecular weight of 181.17 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-methoxy-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 130064686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).