3-ethylidene-5-fluoro-6-methoxy-1,2-dihydroisoindole

C11H12FNO — CID 153364923

IUPAC3-ethylidene-5-fluoro-6-methoxy-1,2-dihydroisoindole
SMILESCC=C1NCc2cc(OC)c(F)cc21
InChIInChI=1S/C11H12FNO/c1-3-10-8-5-9(12)11(14-2)4-7(8)6-13-10/h3-5,13H,6H2,1-2H3
InChIKeyVHBHJMCUSGITTJ-UHFFFAOYSA-N
MW193.22 g/mol
LogP2.30
Rot. Bonds1

About 3-ethylidene-5-fluoro-6-methoxy-1,2-dihydroisoindole

3-ethylidene-5-fluoro-6-methoxy-1,2-dihydroisoindole (PubChem CID 153364923) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is 3-ethylidene-5-fluoro-6-methoxy-1,2-dihydroisoindole.

Molecular Properties

Compound Name3-ethylidene-5-fluoro-6-methoxy-1,2-dihydroisoindole
PubChem CID153364923
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name3-ethylidene-5-fluoro-6-methoxy-1,2-dihydroisoindole
SMILESCC=C1NCc2cc(OC)c(F)cc21
InChIInChI=1S/C11H12FNO/c1-3-10-8-5-9(12)11(14-2)4-7(8)6-13-10/h3-5,13H,6H2,1-2H3
InChIKeyVHBHJMCUSGITTJ-UHFFFAOYSA-N
XLogP2.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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5-(5-fluoro-4-methoxy-2-methylphenyl)-4,6-dimethylpyrimidine
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1,2-difluoro-4,5-dimethoxybenzene
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Frequently Asked Questions

What is the IUPAC name of 3-ethylidene-5-fluoro-6-methoxy-1,2-dihydroisoindole?
The IUPAC name of 3-ethylidene-5-fluoro-6-methoxy-1,2-dihydroisoindole (CID 153364923) is 3-ethylidene-5-fluoro-6-methoxy-1,2-dihydroisoindole.
What is the SMILES notation for 3-ethylidene-5-fluoro-6-methoxy-1,2-dihydroisoindole?
The canonical SMILES for 3-ethylidene-5-fluoro-6-methoxy-1,2-dihydroisoindole is CC=C1NCc2cc(OC)c(F)cc21.
What is the InChIKey of 3-ethylidene-5-fluoro-6-methoxy-1,2-dihydroisoindole?
The InChIKey is VHBHJMCUSGITTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO/c1-3-10-8-5-9(12)11(14-2)4-7(8)6-13-10/h3-5,13H,6H2,1-2H3.
What are the key properties of 3-ethylidene-5-fluoro-6-methoxy-1,2-dihydroisoindole?
3-ethylidene-5-fluoro-6-methoxy-1,2-dihydroisoindole has a molecular weight of 193.22 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylidene-5-fluoro-6-methoxy-1,2-dihydroisoindole is sourced from PubChem (CID 153364923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).