4-fluoro-2-[(2R)-4-(4-fluorophenyl)butan-2-yl]-1,3-dihydroisoindole

C18H19F2N — CID 118282965

IUPAC4-fluoro-2-[(2R)-4-(4-fluorophenyl)butan-2-yl]-1,3-dihydroisoindole
SMILESC[C@H](CCc1ccc(F)cc1)N1Cc2cccc(F)c2C1
InChIInChI=1S/C18H19F2N/c1-13(5-6-14-7-9-16(19)10-8-14)21-11-15-3-2-4-18(20)17(15)12-21/h2-4,7-10,13H,5-6,11-12H2,1H3/t13-/m1/s1
InChIKeyLFYNHAXLOHOWGV-CYBMUJFWSA-N
MW287.35 g/mol
LogP4.30
Rot. Bonds4

About 4-fluoro-2-[(2R)-4-(4-fluorophenyl)butan-2-yl]-1,3-dihydroisoindole

4-fluoro-2-[(2R)-4-(4-fluorophenyl)butan-2-yl]-1,3-dihydroisoindole (PubChem CID 118282965) has the molecular formula C18H19F2N and a molecular weight of 287.35 g/mol. Its IUPAC name is 4-fluoro-2-[(2R)-4-(4-fluorophenyl)butan-2-yl]-1,3-dihydroisoindole.

Molecular Properties

Compound Name4-fluoro-2-[(2R)-4-(4-fluorophenyl)butan-2-yl]-1,3-dihydroisoindole
PubChem CID118282965
Molecular FormulaC18H19F2N
Molecular Weight287.35 g/mol
Exact Mass287.15
IUPAC Name4-fluoro-2-[(2R)-4-(4-fluorophenyl)butan-2-yl]-1,3-dihydroisoindole
SMILESC[C@H](CCc1ccc(F)cc1)N1Cc2cccc(F)c2C1
InChIInChI=1S/C18H19F2N/c1-13(5-6-14-7-9-16(19)10-8-14)21-11-15-3-2-4-18(20)17(15)12-21/h2-4,7-10,13H,5-6,11-12H2,1H3/t13-/m1/s1
InChIKeyLFYNHAXLOHOWGV-CYBMUJFWSA-N
XLogP4.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-fluoro-2-[(2R)-4-(4-fluorophenyl)butan-2-yl]-1,3-dihydroisoindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Benzphetamine
CID 5311017
Benzfetamine
CID 2341
Mcn 4612
CID 135949
6-Phenyl-1,2,3,5,6,10b-hexahydro-pyrrolo[2,1-a]isoquinoline
CID 13202963
Diphenyl isoindoline
CID 606734
1,16-Dimethyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene
CID 12477260
Piroheptine
CID 4854
1,2,3,5,6,10balpha-Hexahydro-6beta-(3-trifluoromethylphenyl)pyrrolo[2,1-a]isoquinoline
CID 13646491
(6S,10bR)-9-fluoro-6-(4-fluorophenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline;hydrobromide
CID 13903143
(10bS)-6-phenyl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline;hydrochloride
CID 45263057
(6R,10bS)-6-[3-(trifluoromethyl)phenyl]-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline;hydrochloride
CID 70687164
(11R)-10-methyl-11-phenyl-1,10-diazatricyclo[9.2.1.03,8]tetradeca-3,5,7-triene
CID 162653369

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(2R)-4-(4-fluorophenyl)butan-2-yl]-1,3-dihydroisoindole?
The IUPAC name of 4-fluoro-2-[(2R)-4-(4-fluorophenyl)butan-2-yl]-1,3-dihydroisoindole (CID 118282965) is 4-fluoro-2-[(2R)-4-(4-fluorophenyl)butan-2-yl]-1,3-dihydroisoindole.
What is the SMILES notation for 4-fluoro-2-[(2R)-4-(4-fluorophenyl)butan-2-yl]-1,3-dihydroisoindole?
The canonical SMILES for 4-fluoro-2-[(2R)-4-(4-fluorophenyl)butan-2-yl]-1,3-dihydroisoindole is C[C@H](CCc1ccc(F)cc1)N1Cc2cccc(F)c2C1.
What is the InChIKey of 4-fluoro-2-[(2R)-4-(4-fluorophenyl)butan-2-yl]-1,3-dihydroisoindole?
The InChIKey is LFYNHAXLOHOWGV-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H19F2N/c1-13(5-6-14-7-9-16(19)10-8-14)21-11-15-3-2-4-18(20)17(15)12-21/h2-4,7-10,13H,5-6,11-12H2,1H3/t13-/m1/s1.
What are the key properties of 4-fluoro-2-[(2R)-4-(4-fluorophenyl)butan-2-yl]-1,3-dihydroisoindole?
4-fluoro-2-[(2R)-4-(4-fluorophenyl)butan-2-yl]-1,3-dihydroisoindole has a molecular weight of 287.35 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[(2R)-4-(4-fluorophenyl)butan-2-yl]-1,3-dihydroisoindole is sourced from PubChem (CID 118282965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).