5-fluoro-2-[4-(4-fluorophenyl)-2-methylbutan-2-yl]-1,3-dihydroisoindole

C19H21F2N — CID 118282879

IUPAC5-fluoro-2-[4-(4-fluorophenyl)-2-methylbutan-2-yl]-1,3-dihydroisoindole
SMILESCC(C)(CCc1ccc(F)cc1)N1Cc2ccc(F)cc2C1
InChIInChI=1S/C19H21F2N/c1-19(2,10-9-14-3-6-17(20)7-4-14)22-12-15-5-8-18(21)11-16(15)13-22/h3-8,11H,9-10,12-13H2,1-2H3
InChIKeyBTEHVLUMUBTQOZ-UHFFFAOYSA-N
MW301.38 g/mol
LogP4.69
Rot. Bonds4

About 5-fluoro-2-[4-(4-fluorophenyl)-2-methylbutan-2-yl]-1,3-dihydroisoindole

5-fluoro-2-[4-(4-fluorophenyl)-2-methylbutan-2-yl]-1,3-dihydroisoindole (PubChem CID 118282879) has the molecular formula C19H21F2N and a molecular weight of 301.38 g/mol. Its IUPAC name is 5-fluoro-2-[4-(4-fluorophenyl)-2-methylbutan-2-yl]-1,3-dihydroisoindole.

Molecular Properties

Compound Name5-fluoro-2-[4-(4-fluorophenyl)-2-methylbutan-2-yl]-1,3-dihydroisoindole
PubChem CID118282879
Molecular FormulaC19H21F2N
Molecular Weight301.38 g/mol
Exact Mass301.16
IUPAC Name5-fluoro-2-[4-(4-fluorophenyl)-2-methylbutan-2-yl]-1,3-dihydroisoindole
SMILESCC(C)(CCc1ccc(F)cc1)N1Cc2ccc(F)cc2C1
InChIInChI=1S/C19H21F2N/c1-19(2,10-9-14-3-6-17(20)7-4-14)22-12-15-5-8-18(21)11-16(15)13-22/h3-8,11H,9-10,12-13H2,1-2H3
InChIKeyBTEHVLUMUBTQOZ-UHFFFAOYSA-N
XLogP4.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[4-(4-fluorophenyl)-2-methylbutan-2-yl]-1,3-dihydroisoindole?
The IUPAC name of 5-fluoro-2-[4-(4-fluorophenyl)-2-methylbutan-2-yl]-1,3-dihydroisoindole (CID 118282879) is 5-fluoro-2-[4-(4-fluorophenyl)-2-methylbutan-2-yl]-1,3-dihydroisoindole.
What is the SMILES notation for 5-fluoro-2-[4-(4-fluorophenyl)-2-methylbutan-2-yl]-1,3-dihydroisoindole?
The canonical SMILES for 5-fluoro-2-[4-(4-fluorophenyl)-2-methylbutan-2-yl]-1,3-dihydroisoindole is CC(C)(CCc1ccc(F)cc1)N1Cc2ccc(F)cc2C1.
What is the InChIKey of 5-fluoro-2-[4-(4-fluorophenyl)-2-methylbutan-2-yl]-1,3-dihydroisoindole?
The InChIKey is BTEHVLUMUBTQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N/c1-19(2,10-9-14-3-6-17(20)7-4-14)22-12-15-5-8-18(21)11-16(15)13-22/h3-8,11H,9-10,12-13H2,1-2H3.
What are the key properties of 5-fluoro-2-[4-(4-fluorophenyl)-2-methylbutan-2-yl]-1,3-dihydroisoindole?
5-fluoro-2-[4-(4-fluorophenyl)-2-methylbutan-2-yl]-1,3-dihydroisoindole has a molecular weight of 301.38 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[4-(4-fluorophenyl)-2-methylbutan-2-yl]-1,3-dihydroisoindole is sourced from PubChem (CID 118282879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).