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

C18H19F2N — CID 123887451

IUPAC5-fluoro-2-[4-(4-fluorophenyl)butan-2-yl]-1,3-dihydroisoindole
SMILESCC(CCc1ccc(F)cc1)N1Cc2ccc(F)cc2C1
InChIInChI=1S/C18H19F2N/c1-13(2-3-14-4-7-17(19)8-5-14)21-11-15-6-9-18(20)10-16(15)12-21/h4-10,13H,2-3,11-12H2,1H3
InChIKeyWXZVOQCMUCSBIN-UHFFFAOYSA-N
MW287.35 g/mol
LogP4.30
Rot. Bonds4

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

5-fluoro-2-[4-(4-fluorophenyl)butan-2-yl]-1,3-dihydroisoindole (PubChem CID 123887451) has the molecular formula C18H19F2N and a molecular weight of 287.35 g/mol. Its IUPAC name is 5-fluoro-2-[4-(4-fluorophenyl)butan-2-yl]-1,3-dihydroisoindole.

Molecular Properties

Compound Name5-fluoro-2-[4-(4-fluorophenyl)butan-2-yl]-1,3-dihydroisoindole
PubChem CID123887451
Molecular FormulaC18H19F2N
Molecular Weight287.35 g/mol
Exact Mass287.15
IUPAC Name5-fluoro-2-[4-(4-fluorophenyl)butan-2-yl]-1,3-dihydroisoindole
SMILESCC(CCc1ccc(F)cc1)N1Cc2ccc(F)cc2C1
InChIInChI=1S/C18H19F2N/c1-13(2-3-14-4-7-17(19)8-5-14)21-11-15-6-9-18(20)10-16(15)12-21/h4-10,13H,2-3,11-12H2,1H3
InChIKeyWXZVOQCMUCSBIN-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[4-(4-fluorophenyl)butan-2-yl]-1,3-dihydroisoindole?
The IUPAC name of 5-fluoro-2-[4-(4-fluorophenyl)butan-2-yl]-1,3-dihydroisoindole (CID 123887451) is 5-fluoro-2-[4-(4-fluorophenyl)butan-2-yl]-1,3-dihydroisoindole.
What is the SMILES notation for 5-fluoro-2-[4-(4-fluorophenyl)butan-2-yl]-1,3-dihydroisoindole?
The canonical SMILES for 5-fluoro-2-[4-(4-fluorophenyl)butan-2-yl]-1,3-dihydroisoindole is CC(CCc1ccc(F)cc1)N1Cc2ccc(F)cc2C1.
What is the InChIKey of 5-fluoro-2-[4-(4-fluorophenyl)butan-2-yl]-1,3-dihydroisoindole?
The InChIKey is WXZVOQCMUCSBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N/c1-13(2-3-14-4-7-17(19)8-5-14)21-11-15-6-9-18(20)10-16(15)12-21/h4-10,13H,2-3,11-12H2,1H3.
What are the key properties of 5-fluoro-2-[4-(4-fluorophenyl)butan-2-yl]-1,3-dihydroisoindole?
5-fluoro-2-[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 5-fluoro-2-[4-(4-fluorophenyl)butan-2-yl]-1,3-dihydroisoindole is sourced from PubChem (CID 123887451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).