6-[(2R)-4-(4-fluorophenyl)butan-2-yl]-5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole

C19H20FNO2 — CID 118282975

IUPAC6-[(2R)-4-(4-fluorophenyl)butan-2-yl]-5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole
SMILESC[C@H](CCc1ccc(F)cc1)N1Cc2cc3c(cc2C1)OCO3
InChIInChI=1S/C19H20FNO2/c1-13(2-3-14-4-6-17(20)7-5-14)21-10-15-8-18-19(23-12-22-18)9-16(15)11-21/h4-9,13H,2-3,10-12H2,1H3/t13-/m1/s1
InChIKeyWLGVVEQIKFIUPU-CYBMUJFWSA-N
MW313.37 g/mol
LogP3.89
Rot. Bonds4

About 6-[(2R)-4-(4-fluorophenyl)butan-2-yl]-5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole

6-[(2R)-4-(4-fluorophenyl)butan-2-yl]-5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole (PubChem CID 118282975) has the molecular formula C19H20FNO2 and a molecular weight of 313.37 g/mol. Its IUPAC name is 6-[(2R)-4-(4-fluorophenyl)butan-2-yl]-5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole.

Molecular Properties

Compound Name6-[(2R)-4-(4-fluorophenyl)butan-2-yl]-5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole
PubChem CID118282975
Molecular FormulaC19H20FNO2
Molecular Weight313.37 g/mol
Exact Mass313.15
IUPAC Name6-[(2R)-4-(4-fluorophenyl)butan-2-yl]-5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole
SMILESC[C@H](CCc1ccc(F)cc1)N1Cc2cc3c(cc2C1)OCO3
InChIInChI=1S/C19H20FNO2/c1-13(2-3-14-4-6-17(20)7-5-14)21-10-15-8-18-19(23-12-22-18)9-16(15)11-21/h4-9,13H,2-3,10-12H2,1H3/t13-/m1/s1
InChIKeyWLGVVEQIKFIUPU-CYBMUJFWSA-N
XLogP3.89
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-4-(4-fluorophenyl)butan-2-yl]-5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole?
The IUPAC name of 6-[(2R)-4-(4-fluorophenyl)butan-2-yl]-5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole (CID 118282975) is 6-[(2R)-4-(4-fluorophenyl)butan-2-yl]-5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole.
What is the SMILES notation for 6-[(2R)-4-(4-fluorophenyl)butan-2-yl]-5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole?
The canonical SMILES for 6-[(2R)-4-(4-fluorophenyl)butan-2-yl]-5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole is C[C@H](CCc1ccc(F)cc1)N1Cc2cc3c(cc2C1)OCO3.
What is the InChIKey of 6-[(2R)-4-(4-fluorophenyl)butan-2-yl]-5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole?
The InChIKey is WLGVVEQIKFIUPU-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H20FNO2/c1-13(2-3-14-4-6-17(20)7-5-14)21-10-15-8-18-19(23-12-22-18)9-16(15)11-21/h4-9,13H,2-3,10-12H2,1H3/t13-/m1/s1.
What are the key properties of 6-[(2R)-4-(4-fluorophenyl)butan-2-yl]-5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole?
6-[(2R)-4-(4-fluorophenyl)butan-2-yl]-5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole has a molecular weight of 313.37 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-4-(4-fluorophenyl)butan-2-yl]-5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole is sourced from PubChem (CID 118282975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).