6-[2-(4-fluorophenyl)ethyl]-2-methyl-3-methylidene-1H-isoindole

C18H18FN — CID 134223557

IUPAC6-[2-(4-fluorophenyl)ethyl]-2-methyl-3-methylidene-1H-isoindole
SMILESC=C1c2ccc(CCc3ccc(F)cc3)cc2CN1C
InChIInChI=1S/C18H18FN/c1-13-18-10-7-15(11-16(18)12-20(13)2)4-3-14-5-8-17(19)9-6-14/h5-11H,1,3-4,12H2,2H3
InChIKeyYKURQEAGTHUQOR-UHFFFAOYSA-N
MW267.35 g/mol
LogP4.03
Rot. Bonds3

About 6-[2-(4-fluorophenyl)ethyl]-2-methyl-3-methylidene-1H-isoindole

6-[2-(4-fluorophenyl)ethyl]-2-methyl-3-methylidene-1H-isoindole (PubChem CID 134223557) has the molecular formula C18H18FN and a molecular weight of 267.35 g/mol. Its IUPAC name is 6-[2-(4-fluorophenyl)ethyl]-2-methyl-3-methylidene-1H-isoindole.

Molecular Properties

Compound Name6-[2-(4-fluorophenyl)ethyl]-2-methyl-3-methylidene-1H-isoindole
PubChem CID134223557
Molecular FormulaC18H18FN
Molecular Weight267.35 g/mol
Exact Mass267.14
IUPAC Name6-[2-(4-fluorophenyl)ethyl]-2-methyl-3-methylidene-1H-isoindole
SMILESC=C1c2ccc(CCc3ccc(F)cc3)cc2CN1C
InChIInChI=1S/C18H18FN/c1-13-18-10-7-15(11-16(18)12-20(13)2)4-3-14-5-8-17(19)9-6-14/h5-11H,1,3-4,12H2,2H3
InChIKeyYKURQEAGTHUQOR-UHFFFAOYSA-N
XLogP4.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-fluorophenyl)ethyl]-2-methyl-3-methylidene-1H-isoindole?
The IUPAC name of 6-[2-(4-fluorophenyl)ethyl]-2-methyl-3-methylidene-1H-isoindole (CID 134223557) is 6-[2-(4-fluorophenyl)ethyl]-2-methyl-3-methylidene-1H-isoindole.
What is the SMILES notation for 6-[2-(4-fluorophenyl)ethyl]-2-methyl-3-methylidene-1H-isoindole?
The canonical SMILES for 6-[2-(4-fluorophenyl)ethyl]-2-methyl-3-methylidene-1H-isoindole is C=C1c2ccc(CCc3ccc(F)cc3)cc2CN1C.
What is the InChIKey of 6-[2-(4-fluorophenyl)ethyl]-2-methyl-3-methylidene-1H-isoindole?
The InChIKey is YKURQEAGTHUQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN/c1-13-18-10-7-15(11-16(18)12-20(13)2)4-3-14-5-8-17(19)9-6-14/h5-11H,1,3-4,12H2,2H3.
What are the key properties of 6-[2-(4-fluorophenyl)ethyl]-2-methyl-3-methylidene-1H-isoindole?
6-[2-(4-fluorophenyl)ethyl]-2-methyl-3-methylidene-1H-isoindole has a molecular weight of 267.35 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-fluorophenyl)ethyl]-2-methyl-3-methylidene-1H-isoindole is sourced from PubChem (CID 134223557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).